N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C12H13N3O2S — CID 103765352

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H13N3O2S/c1-8-10(18-7-14-8)6-15(2)12(17)9-3-4-13-11(16)5-9/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyZTNSENNCLXKJAA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.41
Rot. Bonds3

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103765352) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103765352
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1ncsc1CN(C)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H13N3O2S/c1-8-10(18-7-14-8)6-15(2)12(17)9-3-4-13-11(16)5-9/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyZTNSENNCLXKJAA-UHFFFAOYSA-N
XLogP1.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103765352) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is Cc1ncsc1CN(C)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ZTNSENNCLXKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-10(18-7-14-8)6-15(2)12(17)9-3-4-13-11(16)5-9/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103765352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).