3-amino-6-(difluoromethyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(difluoromethyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

CAS: 832737-16-3

Formula: C16H13F2N3OS

SMILES: CC1=CC=C(C=C1)C1=C2C(SC(C(N)=O)=C2N)=NC(=C1)C(F)F

IUPAC: 3-amino-6-(difluoromethyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C16H13F2N3OS/c1-7-2-4-8(5-3-7)9-6-10(14(17)18)21-16-11(9)12(19)13(23-16)15(20)22/h2-6,14H,19H2,1H3,(H2,20,22)

Composition: C (57.65%), H (3.93%), F (11.40%), N (12.61%), O (4.80%), S (9.62%)

Molar Mass: 333.36

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	333.074739551
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LLBKOVASFNYDEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.66
Topological Polar Surface Area	82
Polarizability	32.87
Ring Count	3
Rotatable Bond Count	3

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