3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C16H16N2OS2 — CID 2835813

IUPAC3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=CC=CC/C=N/c2ccccc2)SC1=S
InChIInChI=1S/C16H16N2OS2/c1-2-18-15(19)14(21-16(18)20)11-7-4-8-12-17-13-9-5-3-6-10-13/h3-7,9-12H,2,8H2,1H3/b7-4?,14-11?,17-12+
InChIKeyISOPZUNGTJTVOG-AFKYOJQBSA-N
MW316.45 g/mol
LogP4.10
Rot. Bonds5

About 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2835813) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2835813
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)C(=CC=CC/C=N/c2ccccc2)SC1=S
InChIInChI=1S/C16H16N2OS2/c1-2-18-15(19)14(21-16(18)20)11-7-4-8-12-17-13-9-5-3-6-10-13/h3-7,9-12H,2,8H2,1H3/b7-4?,14-11?,17-12+
InChIKeyISOPZUNGTJTVOG-AFKYOJQBSA-N
XLogP4.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350634
5-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76662131
(5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6989535
(5E)-3-ethyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2257287
(5Z)-3-butyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2188149
5-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3459384
3-ethyl-5-[4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)but-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5027302
(5Z)-3-ethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6391422
(5Z)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2306337
(5E)-3-ethyl-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252231
(5Z)-5-[(Z)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252865
5-cinnamylidene-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3545708

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2835813) is 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)C(=CC=CC/C=N/c2ccccc2)SC1=S.
What is the InChIKey of 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ISOPZUNGTJTVOG-AFKYOJQBSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-2-18-15(19)14(21-16(18)20)11-7-4-8-12-17-13-9-5-3-6-10-13/h3-7,9-12H,2,8H2,1H3/b7-4?,14-11?,17-12+.
What are the key properties of 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-phenyliminopent-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2835813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).