2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide

C13H15N3OS — CID 131909576

IUPAC2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C)n1)c1ccncc1
InChIInChI=1S/C13H15N3OS/c1-3-11(10-4-6-14-7-5-10)16-13(17)12-8-18-9(2)15-12/h4-8,11H,3H2,1-2H3,(H,16,17)
InChIKeyDEDFNTKPUHTHQN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.73
Rot. Bonds4

About 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 131909576) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID131909576
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C)n1)c1ccncc1
InChIInChI=1S/C13H15N3OS/c1-3-11(10-4-6-14-7-5-10)16-13(17)12-8-18-9(2)15-12/h4-8,11H,3H2,1-2H3,(H,16,17)
InChIKeyDEDFNTKPUHTHQN-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
CID 99931443
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
CID 124628464
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 96518675
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide (CID 131909576) is 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(C)n1)c1ccncc1.
What is the InChIKey of 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DEDFNTKPUHTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-11(10-4-6-14-7-5-10)16-13(17)12-8-18-9(2)15-12/h4-8,11H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131909576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).