2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

C17H18N4OS — CID 51098576

IUPAC2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCc3ccn[nH]3)s2)c(C)c1
InChIInChI=1S/C17H18N4OS/c1-10-4-5-14(11(2)8-10)17-20-12(3)15(23-17)16(22)18-9-13-6-7-19-21-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyBIDZYHUHXUIYEW-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 51098576) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID51098576
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCc3ccn[nH]3)s2)c(C)c1
InChIInChI=1S/C17H18N4OS/c1-10-4-5-14(11(2)8-10)17-20-12(3)15(23-17)16(22)18-9-13-6-7-19-21-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyBIDZYHUHXUIYEW-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 111447016
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 51098584
2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 75418308
2-(2,4-dimethylphenyl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56565007
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 114269658
2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49065917
methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
CID 86867474
N-[(3R)-3-cyanothiolan-3-yl]-2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 95263458
2-(2,4-dimethylphenyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52791222
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 52835430

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide (CID 51098576) is 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCc3ccn[nH]3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BIDZYHUHXUIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-4-5-14(11(2)8-10)17-20-12(3)15(23-17)16(22)18-9-13-6-7-19-21-13/h4-8H,9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51098576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).