(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

C20H20N2OS — CID 25150685

IUPAC(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)(C)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2OS/c1-20(2,3)14-17-18(23)22(16-12-8-5-9-13-16)19(24-17)21-15-10-6-4-7-11-15/h4-14H,1-3H3/b17-14-,21-19-
InChIKeyQDKPRUPHEUVUNY-WREXEKCJSA-N
MW336.46 g/mol
LogP5.38
Rot. Bonds2

About (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 25150685) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID25150685
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
SMILESCC(C)(C)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2OS/c1-20(2,3)14-17-18(23)22(16-12-8-5-9-13-16)19(24-17)21-15-10-6-4-7-11-15/h4-14H,1-3H3/b17-14-,21-19-
InChIKeyQDKPRUPHEUVUNY-WREXEKCJSA-N
XLogP5.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 2052828
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(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
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7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009384
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one (CID 25150685) is (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is CC(C)(C)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is QDKPRUPHEUVUNY-WREXEKCJSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-20(2,3)14-17-18(23)22(16-12-8-5-9-13-16)19(24-17)21-15-10-6-4-7-11-15/h4-14H,1-3H3/b17-14-,21-19-.
What are the key properties of (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,2-dimethylpropylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 25150685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).