(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one

C23H25N3O4S — CID 18850673

IUPAC(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1OC
InChIInChI=1S/C23H25N3O4S/c1-28-18-10-9-16(20(29-2)21(18)30-3)15-19-22(27)24-23(31-19)26-13-11-25(12-14-26)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b19-15-
InChIKeyCARICCKQFZSLPQ-CYVLTUHYSA-N
MW439.54 g/mol
LogP3.50
Rot. Bonds5

About (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 18850673) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID18850673
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1OC
InChIInChI=1S/C23H25N3O4S/c1-28-18-10-9-16(20(29-2)21(18)30-3)15-19-22(27)24-23(31-19)26-13-11-25(12-14-26)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b19-15-
InChIKeyCARICCKQFZSLPQ-CYVLTUHYSA-N
XLogP3.50
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 16800344
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 18850674
2-(azepan-1-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2878171
5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 4655312
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 2037043
(5E)-5-[(4-methylphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11976631
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 4679725
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 700488
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 700490
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 17045321
5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 4753525
(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
CID 46499596

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 18850673) is (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c(OC)c1OC.
What is the InChIKey of (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is CARICCKQFZSLPQ-CYVLTUHYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-28-18-10-9-16(20(29-2)21(18)30-3)15-19-22(27)24-23(31-19)26-13-11-25(12-14-26)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3/b19-15-.
What are the key properties of (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 439.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-phenylpiperazin-1-yl)-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 18850673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).