6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide

C10H9N3O2S — CID 107261797

IUPAC6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
SMILESO=C(NCc1nccs1)c1cccc(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c14-8-3-1-2-7(13-8)10(15)12-6-9-11-4-5-16-9/h1-5H,6H2,(H,12,15)(H,13,14)
InChIKeyLSDOTWFSVQDKDG-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.76
Rot. Bonds3

About 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide

6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide (PubChem CID 107261797) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
PubChem CID107261797
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide
SMILESO=C(NCc1nccs1)c1cccc(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c14-8-3-1-2-7(13-8)10(15)12-6-9-11-4-5-16-9/h1-5H,6H2,(H,12,15)(H,13,14)
InChIKeyLSDOTWFSVQDKDG-UHFFFAOYSA-N
XLogP0.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
5-(1,3-thiazol-2-ylmethylcarbamoyl)thiophene-2-carboxylic acid
CID 55021448
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
6-methyl-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 110462485
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
N-[(4-methylthiophen-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040397
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
6-N-propan-2-yl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 25024354

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide (CID 107261797) is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide is O=C(NCc1nccs1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide?
The InChIKey is LSDOTWFSVQDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-3-1-2-7(13-8)10(15)12-6-9-11-4-5-16-9/h1-5H,6H2,(H,12,15)(H,13,14).
What are the key properties of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide?
6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).