[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate

C22H19N3O3S — CID 32933840

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)Cc3cnn(-c4ccccc4)c3)cs2)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-20-9-7-17(8-10-20)22-24-18(15-29-22)14-28-21(26)11-16-12-23-25(13-16)19-5-3-2-4-6-19/h2-10,12-13,15H,11,14H2,1H3
InChIKeyDFEPDLBUKZKTSJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.29
Rot. Bonds7

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32933840) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32933840
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)Cc3cnn(-c4ccccc4)c3)cs2)cc1
InChIInChI=1S/C22H19N3O3S/c1-27-20-9-7-17(8-10-20)22-24-18(15-29-22)14-28-21(26)11-16-12-23-25(13-16)19-5-3-2-4-6-19/h2-10,12-13,15H,11,14H2,1H3
InChIKeyDFEPDLBUKZKTSJ-UHFFFAOYSA-N
XLogP4.29
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031568
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46626983
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813125

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate (CID 32933840) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate is COc1ccc(-c2nc(COC(=O)Cc3cnn(-c4ccccc4)c3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is DFEPDLBUKZKTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-20-9-7-17(8-10-20)22-24-18(15-29-22)14-28-21(26)11-16-12-23-25(13-16)19-5-3-2-4-6-19/h2-10,12-13,15H,11,14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 405.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32933840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).