2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C17H15N3OS — CID 17401006

IUPAC2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)cc1
InChIInChI=1S/C17H15N3OS/c1-12-2-4-14(5-3-12)17-20-15(11-22-17)16(21)19-10-13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyLBRMBVHUEKGPMC-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 17401006) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID17401006
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)cc1
InChIInChI=1S/C17H15N3OS/c1-12-2-4-14(5-3-12)17-20-15(11-22-17)16(21)19-10-13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyLBRMBVHUEKGPMC-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 58432925
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003298
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 17401006) is 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LBRMBVHUEKGPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-2-4-14(5-3-12)17-20-15(11-22-17)16(21)19-10-13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17401006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).