N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

C16H16N4O2S — CID 42110488

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccnn3C)sc2C)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-14(11-4-6-12(22-3)7-5-11)18-16(23-10)19-15(21)13-8-9-17-20(13)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyWAZCXWWOXQBGMO-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.11
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 42110488) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID42110488
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccnn3C)sc2C)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-14(11-4-6-12(22-3)7-5-11)18-16(23-10)19-15(21)13-8-9-17-20(13)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyWAZCXWWOXQBGMO-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole scaffold, 13
CID 25218469
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221178
6-[2-[(4-Methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid
CID 127027657
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155532011
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2564183
US11306081, Example 086
CID 156361580
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 42110488) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is COc1ccc(-c2nc(NC(=O)c3ccnn3C)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is WAZCXWWOXQBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-14(11-4-6-12(22-3)7-5-11)18-16(23-10)19-15(21)13-8-9-17-20(13)2/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).