N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 18128681

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)[nH]c2)sc1C
InChIInChI=1S/C11H11N3O2S/c1-6-7(2)17-11(13-6)14-10(16)8-3-4-9(15)12-5-8/h3-5H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyBRUJKWRUIDQWPB-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.70
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 18128681) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID18128681
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)[nH]c2)sc1C
InChIInChI=1S/C11H11N3O2S/c1-6-7(2)17-11(13-6)14-10(16)8-3-4-9(15)12-5-8/h3-5H,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyBRUJKWRUIDQWPB-UHFFFAOYSA-N
XLogP1.70
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 18128681) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is Cc1nc(NC(=O)c2ccc(=O)[nH]c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BRUJKWRUIDQWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-7(2)17-11(13-6)14-10(16)8-3-4-9(15)12-5-8/h3-5H,1-2H3,(H,12,15)(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18128681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).