(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one

C21H15N3OS — CID 1273947

IUPAC(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1/C(=C\C=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C21H15N3OS/c25-20-18(13-7-10-16-8-3-1-4-9-16)23-19(17-11-5-2-6-12-17)24(20)21-22-14-15-26-21/h1-15H/b10-7+,18-13+
InChIKeyMTCAKDCABIQLGW-CVUDBVLYSA-N
MW357.44 g/mol
LogP4.53
Rot. Bonds4

About (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one

(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one (PubChem CID 1273947) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
PubChem CID1273947
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1/C(=C\C=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C21H15N3OS/c25-20-18(13-7-10-16-8-3-1-4-9-16)23-19(17-11-5-2-6-12-17)24(20)21-22-14-15-26-21/h1-15H/b10-7+,18-13+
InChIKeyMTCAKDCABIQLGW-CVUDBVLYSA-N
XLogP4.53
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 1273952
2-(4-cinnamylidene-5-oxo-2-phenylimidazol-1-yl)naphthalene-1,5-disulfonic acid
CID 3681661
2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4887838
2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4969889
5-benzylidene-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
CID 3777613
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
CID 5026373
(5E)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
CID 26476241

Frequently Asked Questions

What is the IUPAC name of (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one?
The IUPAC name of (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one (CID 1273947) is (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one.
What is the SMILES notation for (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one?
The canonical SMILES for (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one is O=C1/C(=C\C=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1.
What is the InChIKey of (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one?
The InChIKey is MTCAKDCABIQLGW-CVUDBVLYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20-18(13-7-10-16-8-3-1-4-9-16)23-19(17-11-5-2-6-12-17)24(20)21-22-14-15-26-21/h1-15H/b10-7+,18-13+.
What are the key properties of (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one?
(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one has a molecular weight of 357.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one is sourced from PubChem (CID 1273947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).