3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid

C12H10N2O3S2 — CID 43171778

IUPAC3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10N2O3S2/c1-18-11-7(3-2-5-13-11)10(15)14-8-4-6-19-9(8)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyPLYBTGYVZFHUPY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.82
Rot. Bonds4

About 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid

3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43171778) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43171778
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCSc1ncccc1C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10N2O3S2/c1-18-11-7(3-2-5-13-11)10(15)14-8-4-6-19-9(8)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyPLYBTGYVZFHUPY-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 53163828
3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
CID 43358110
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 43171778) is 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid is CSc1ncccc1C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is PLYBTGYVZFHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c1-18-11-7(3-2-5-13-11)10(15)14-8-4-6-19-9(8)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43171778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).