(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C19H19FN4OS2 — CID 18846172

IUPAC(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C2CCCCC2)s1
InChIInChI=1S/C19H19FN4OS2/c1-12-22-23-18(26-12)21-19-24(15-5-3-2-4-6-15)17(25)16(27-19)11-13-7-9-14(20)10-8-13/h7-11,15H,2-6H2,1H3/b16-11-,21-19+
InChIKeyOWOWRTFLCFNVMQ-DDRRTAJHSA-N
MW402.52 g/mol
LogP4.92
Rot. Bonds3

About (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18846172) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID18846172
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCc1nnc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C2CCCCC2)s1
InChIInChI=1S/C19H19FN4OS2/c1-12-22-23-18(26-12)21-19-24(15-5-3-2-4-6-15)17(25)16(27-19)11-13-7-9-14(20)10-8-13/h7-11,15H,2-6H2,1H3/b16-11-,21-19+
InChIKeyOWOWRTFLCFNVMQ-DDRRTAJHSA-N
XLogP4.92
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2E,5Z)-3-cyclohexyl-5-[(4-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18846119
(2E,5Z)-3-cyclohexyl-5-[(3-methylphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18846118
(2E,5E)-3-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18846165
(2E,5Z)-3-cyclohexyl-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18846135
(2E,5Z)-5-benzylidene-3-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845093
(2E,5Z)-3-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 18846199
(5E)-3-cyclohexyl-5-[[4-(4-fluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87453201
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
(2E,5Z)-5-[(3-chlorophenyl)methylidene]-3-cyclohexyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18843111
(2E,5Z)-5-[(3-bromophenyl)methylidene]-3-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845155
4-[(Z)-[3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 7730077

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18846172) is (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is Cc1nnc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C2CCCCC2)s1.
What is the InChIKey of (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is OWOWRTFLCFNVMQ-DDRRTAJHSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-12-22-23-18(26-12)21-19-24(15-5-3-2-4-6-15)17(25)16(27-19)11-13-7-9-14(20)10-8-13/h7-11,15H,2-6H2,1H3/b16-11-,21-19+.
What are the key properties of (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 402.52 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-cyclohexyl-5-[(4-fluorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18846172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).