3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide

C14H12N4OS — CID 750059

IUPAC3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C14H12N4OS/c15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyWZUJMBPFVFURFH-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide

3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 750059) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
PubChem CID750059
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
InChIInChI=1S/C14H12N4OS/c15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyWZUJMBPFVFURFH-UHFFFAOYSA-N
XLogP2.72
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

A-841720
CID 11559235
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
A-794278
CID 11537456
3-(4-Chlorophenyl)-9-(2-propyn-1-ylamino)pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one
CID 23634171
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide (CID 750059) is 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.
What is the InChIKey of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WZUJMBPFVFURFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19/h1-7H,15H2,(H2,16,19)(H,17,18).
What are the key properties of 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 750059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).