7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one

C13H10N2OS — CID 91383855

IUPAC7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one
SMILESNc1c[nH]c(=O)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
InChIKeyFBVOPOZVLBHOHR-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.84
Rot. Bonds1

About 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one

7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 91383855) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID91383855
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one
SMILESNc1c[nH]c(=O)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
InChIKeyFBVOPOZVLBHOHR-UHFFFAOYSA-N
XLogP2.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
N-(1-phenylethyl)thiophene-2-carboxamide
CID 2818070
5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 8866284

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one (CID 91383855) is 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one is Nc1c[nH]c(=O)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is FBVOPOZVLBHOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16).
What are the key properties of 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one?
7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-phenyl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 91383855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).