2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H16N4O2S — CID 32609720

IUPAC2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-22-13-6-4-11(5-7-13)16-19-14(10-23-16)15(21)18-12-8-17-20(2)9-12/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyRVNTWVRLOMODEM-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 32609720) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID32609720
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-22-13-6-4-11(5-7-13)16-19-14(10-23-16)15(21)18-12-8-17-20(2)9-12/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyRVNTWVRLOMODEM-UHFFFAOYSA-N
XLogP3.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790210
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39940519
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 35994648
2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78861131
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 32609720) is 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3cnn(C)c3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RVNTWVRLOMODEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-22-13-6-4-11(5-7-13)16-19-14(10-23-16)15(21)18-12-8-17-20(2)9-12/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 32609720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).