1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone

2.1.2 InChI

InChI=1S/C11H10FN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)

2.1.3 InChI Key

GVYPHJQPOHDZEI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCNC1=NC(=C(S1)C(=O)C2=CC=C(S2)F)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Tt-10

2. 2230640-94-3

3. Tt10

4. Hy-125016

5. Cs-0088605

6. (2-(allylamino)-4-aminothiazol-5-yl)(5-fluorothiophen-2-yl)methanone

7. [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone

2.3 Create Date

2018-11-20

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀FN₃OS₂
Molecular Weight	283.3 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	283.02493246 g/mol
Monoisotopic Mass	283.02493246 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	331
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

TT-10