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

C12H13N3OS — CID 140674326

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(C)c(Cc2ncccc2C(N)=O)s1
InChIInChI=1S/C12H13N3OS/c1-7-11(17-8(2)15-7)6-10-9(12(13)16)4-3-5-14-10/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyCGYQPYCIXPUMHM-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.84
Rot. Bonds3

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

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 140674326) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID140674326
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(C)c(Cc2ncccc2C(N)=O)s1
InChIInChI=1S/C12H13N3OS/c1-7-11(17-8(2)15-7)6-10-9(12(13)16)4-3-5-14-10/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyCGYQPYCIXPUMHM-UHFFFAOYSA-N
XLogP1.84
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (CID 140674326) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is Cc1nc(C)c(Cc2ncccc2C(N)=O)s1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CGYQPYCIXPUMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-11(17-8(2)15-7)6-10-9(12(13)16)4-3-5-14-10/h3-5H,6H2,1-2H3,(H2,13,16).
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 140674326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).