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

C11H11N3OS — CID 47290675

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2)cs1
InChIInChI=1S/C11H11N3OS/c1-8-14-10(7-16-8)6-13-11(15)9-3-2-4-12-5-9/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeySJBVRZWKBYAYNJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.78
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 47290675) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID47290675
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2)cs1
InChIInChI=1S/C11H11N3OS/c1-8-14-10(7-16-8)6-13-11(15)9-3-2-4-12-5-9/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeySJBVRZWKBYAYNJ-UHFFFAOYSA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]pyridine-3-carboxamide
CID 90829902
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
CID 110873450
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 47290675) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nc(CNC(=O)c2cccnc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SJBVRZWKBYAYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-14-10(7-16-8)6-13-11(15)9-3-2-4-12-5-9/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47290675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).