2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

C16H15N3O2S — CID 51091336

IUPAC2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCCn3cccn3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)15-18-14(11-22-15)16(20)21-10-9-19-8-2-7-17-19/h2-8,11H,9-10H2,1H3
InChIKeyZDSQQMKIZINCPC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.17
Rot. Bonds5

About 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 51091336) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID51091336
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCCn3cccn3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)15-18-14(11-22-15)16(20)21-10-9-19-8-2-7-17-19/h2-8,11H,9-10H2,1H3
InChIKeyZDSQQMKIZINCPC-UHFFFAOYSA-N
XLogP3.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 51116196
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
2-(1-methylpyrazol-4-yl)ethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 75421140
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837935
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736530
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736542
hexyl 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 87044314
[(2R)-3-oxobutan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 39967446

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (CID 51091336) is 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)OCCn3cccn3)cs2)cc1.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZDSQQMKIZINCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)15-18-14(11-22-15)16(20)21-10-9-19-8-2-7-17-19/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51091336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).