(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one

C14H13F3N2OS — CID 19549164

IUPAC(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one
SMILESCCc1ccccc1N1C(=O)/C(=C\CC(F)(F)F)NC1=S
InChIInChI=1S/C14H13F3N2OS/c1-2-9-5-3-4-6-11(9)19-12(20)10(18-13(19)21)7-8-14(15,16)17/h3-7H,2,8H2,1H3,(H,18,21)/b10-7+
InChIKeyDNZNDVKTLNXCOD-JXMROGBWSA-N
MW314.33 g/mol
LogP3.31
Rot. Bonds3

About (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one

(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one (PubChem CID 19549164) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one
PubChem CID19549164
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one
SMILESCCc1ccccc1N1C(=O)/C(=C\CC(F)(F)F)NC1=S
InChIInChI=1S/C14H13F3N2OS/c1-2-9-5-3-4-6-11(9)19-12(20)10(18-13(19)21)7-8-14(15,16)17/h3-7H,2,8H2,1H3,(H,18,21)/b10-7+
InChIKeyDNZNDVKTLNXCOD-JXMROGBWSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.31
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)-3-phenyl-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one
CID 19546027
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19549186
(5E)-5-[(3,5-dimethoxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 26502437
(5E)-3-(2-ethylphenyl)-5-[(2-methylpyrazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 135786776
(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]imidazolidin-4-one
CID 19549118
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510479
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510460
(5E)-5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19549177
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510465
(5E)-3-(2-ethoxyphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19546569
(5E)-5-[[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19549113
(5Z)-5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-3-(2-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 24510486

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one?
The IUPAC name of (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one (CID 19549164) is (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one.
What is the SMILES notation for (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one?
The canonical SMILES for (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one is CCc1ccccc1N1C(=O)/C(=C\CC(F)(F)F)NC1=S.
What is the InChIKey of (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one?
The InChIKey is DNZNDVKTLNXCOD-JXMROGBWSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-2-9-5-3-4-6-11(9)19-12(20)10(18-13(19)21)7-8-14(15,16)17/h3-7H,2,8H2,1H3,(H,18,21)/b10-7+.
What are the key properties of (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one?
(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one has a molecular weight of 314.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(3,3,3-trifluoropropylidene)imidazolidin-4-one is sourced from PubChem (CID 19549164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).