[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

C17H16ClN3O2S — CID 167780209

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCc1n[nH]c(C)c1CC(=O)OCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O2S/c1-10-14(11(2)21-20-10)7-16(22)23-8-12-9-24-17(19-12)13-5-3-4-6-15(13)18/h3-6,9H,7-8H2,1-2H3,(H,20,21)
InChIKeyPZDLJSCVUFGLRR-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.09
Rot. Bonds5

About [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (PubChem CID 167780209) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
PubChem CID167780209
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCc1n[nH]c(C)c1CC(=O)OCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O2S/c1-10-14(11(2)21-20-10)7-16(22)23-8-12-9-24-17(19-12)13-5-3-4-6-15(13)18/h3-6,9H,7-8H2,1-2H3,(H,20,21)
InChIKeyPZDLJSCVUFGLRR-UHFFFAOYSA-N
XLogP4.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
CID 7783403
prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 134055357
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511475
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-acetylpyrrolidine-2-carboxylate
CID 134125892
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 51507395
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate
CID 30937526
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
(4-acetylphenyl) 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 9191780
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675420

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (CID 167780209) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is Cc1n[nH]c(C)c1CC(=O)OCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The InChIKey is PZDLJSCVUFGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-14(11(2)21-20-10)7-16(22)23-8-12-9-24-17(19-12)13-5-3-4-6-15(13)18/h3-6,9H,7-8H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate has a molecular weight of 361.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 167780209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).