1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea

2.1.2 InChI

InChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)

2.1.3 InChI Key

GNLZNQJBZNOUBM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C1CCCCC1)C(=S)NN=C(C2=CC=CC=N2)C3=CC=CC=N3

2.2 Other Identifiers

2.2.1 UNII

6068Z4Y7QI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dp4cych4mt

2. 1382469-39-7

3. Chembl2203744

4. 6068z4y7qi

5. N-cyclohexyl-2-(di(pyridin-2-yl)methylene)-n-methylhydrazinecarbothioamide

6. Unii-6068z4y7qi

7. Schembl9971653

8. Dpc, >=98% (hplc)

9. Bdbm50570711

10. Zinc72317804

11. Db15235

12. J3.560.134a

13. Q27263172

2.4 Create Date

2012-07-16

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃N₅S
Molecular Weight	353.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	353.16741693 g/mol
Monoisotopic Mass	353.16741693 g/mol
Topological Polar Surface Area	85.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	441
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone