4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C24H24N4O2S — CID 981927

IUPAC4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESC=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H24N4O2S/c1-5-15-27-21(18-11-13-20(30-4)14-12-18)16-31-24(27)25-22-17(2)26(3)28(23(22)29)19-9-7-6-8-10-19/h5-14,16H,1,15H2,2-4H3/b25-24-
InChIKeyKSWTWAWKQOCPRD-IZHYLOQSSA-N
MW432.55 g/mol
LogP4.44
Rot. Bonds6

About 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 981927) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID981927
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESC=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H24N4O2S/c1-5-15-27-21(18-11-13-20(30-4)14-12-18)16-31-24(27)25-22-17(2)26(3)28(23(22)29)19-9-7-6-8-10-19/h5-14,16H,1,15H2,2-4H3/b25-24-
InChIKeyKSWTWAWKQOCPRD-IZHYLOQSSA-N
XLogP4.44
TPSA53.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 981927) is 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is KSWTWAWKQOCPRD-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-5-15-27-21(18-11-13-20(30-4)14-12-18)16-31-24(27)25-22-17(2)26(3)28(23(22)29)19-9-7-6-8-10-19/h5-14,16H,1,15H2,2-4H3/b25-24-.
What are the key properties of 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 432.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 981927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).