(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one

C14H13ClN2OS — CID 19545431

IUPAC(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)NC1=S
InChIInChI=1S/C14H13ClN2OS/c1-2-17-13(18)12(16-14(17)19)9-11(15)8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,19)/b11-8-,12-9+
InChIKeyJHJRHJDOJDQORR-QABOREQESA-N
MW292.79 g/mol
LogP2.89
Rot. Bonds3

About (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 19545431) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID19545431
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)NC1=S
InChIInChI=1S/C14H13ClN2OS/c1-2-17-13(18)12(16-14(17)19)9-11(15)8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,19)/b11-8-,12-9+
InChIKeyJHJRHJDOJDQORR-QABOREQESA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548303
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19546495
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 19547848
(5E)-5-[(2Z)-2-benzylideneheptylidene]-3-(3-methoxypropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547411
(5Z)-3-ethyl-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 17278268
(5E)-3-ethyl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 17276809
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 17123867
4-[(Z)-(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 101179930
5-[(2-ethoxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 1209238
3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 156538242
methyl 4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]benzoate
CID 804620
(5Z)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5428348

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one (CID 19545431) is (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)NC1=S.
What is the InChIKey of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JHJRHJDOJDQORR-QABOREQESA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-2-17-13(18)12(16-14(17)19)9-11(15)8-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,19)/b11-8-,12-9+.
What are the key properties of (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 292.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 19545431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).