2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C16H16N4O2S — CID 32606571

IUPAC2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cnn(C)c3)s2)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-14(15(21)19-12-8-17-20(2)9-12)23-16(18-10)11-4-6-13(22-3)7-5-11/h4-9H,1-3H3,(H,19,21)
InChIKeyHOGNBOPXWKCPAS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 32606571) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID32606571
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cnn(C)c3)s2)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-14(15(21)19-12-8-17-20(2)9-12)23-16(18-10)11-4-6-13(22-3)7-5-11/h4-9H,1-3H3,(H,19,21)
InChIKeyHOGNBOPXWKCPAS-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 32606571) is 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3cnn(C)c3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HOGNBOPXWKCPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-14(15(21)19-12-8-17-20(2)9-12)23-16(18-10)11-4-6-13(22-3)7-5-11/h4-9H,1-3H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-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 2-(4-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 32606571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).