(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C18H13N3O2S2 — CID 27272914

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H13N3O2S2/c22-18(15-12-25-17(20-15)16-3-1-10-24-16)23-11-13-4-6-14(7-5-13)21-9-2-8-19-21/h1-10,12H,11H2
InChIKeyGLPVDRRGDOLTNT-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.41
Rot. Bonds5

About (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 27272914) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID27272914
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ccc(-n2cccn2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H13N3O2S2/c22-18(15-12-25-17(20-15)16-3-1-10-24-16)23-11-13-4-6-14(7-5-13)21-9-2-8-19-21/h1-10,12H,11H2
InChIKeyGLPVDRRGDOLTNT-UHFFFAOYSA-N
XLogP4.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-pyrazol-1-ylphenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
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(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 86913932
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(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
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(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977238
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
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(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
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(4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 16569520
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 27272914) is (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is O=C(OCc1ccc(-n2cccn2)cc1)c1csc(-c2cccs2)n1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is GLPVDRRGDOLTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c22-18(15-12-25-17(20-15)16-3-1-10-24-16)23-11-13-4-6-14(7-5-13)21-9-2-8-19-21/h1-10,12H,11H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 367.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 27272914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).