(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one

C16H11N3O2S3 — CID 47077501

IUPAC(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one
SMILESO=C1/C(=C\c2csc(-c3ccsc3)n2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C16H11N3O2S3/c20-15-13(18-16(22)19(15)7-12-2-1-4-21-12)6-11-9-24-14(17-11)10-3-5-23-8-10/h1-6,8-9H,7H2,(H,18,22)/b13-6+
InChIKeyAOQSDEZGZXPIBB-AWNIVKPZSA-N
MW373.48 g/mol
LogP3.72
Rot. Bonds4

About (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one

(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one (PubChem CID 47077501) has the molecular formula C16H11N3O2S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one
PubChem CID47077501
Molecular FormulaC16H11N3O2S3
Molecular Weight373.48 g/mol
Exact Mass373.00
IUPAC Name(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one
SMILESO=C1/C(=C\c2csc(-c3ccsc3)n2)NC(=S)N1Cc1ccco1
InChIInChI=1S/C16H11N3O2S3/c20-15-13(18-16(22)19(15)7-12-2-1-4-21-12)6-11-9-24-14(17-11)10-3-5-23-8-10/h1-6,8-9H,7H2,(H,18,22)/b13-6+
InChIKeyAOQSDEZGZXPIBB-AWNIVKPZSA-N
XLogP3.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
3-(furan-2-ylmethyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4775792
3-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 4775983
(5E)-5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 17452490
(5Z)-5-[(2-ethoxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 9039578
(5Z)-3-(furan-2-ylmethyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 98525614
(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548303
(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 27718634
(5E)-3-(furan-2-ylmethyl)-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548311
3-ethyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 156538242
4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 17457985
(5E)-5-[[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19548182

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one?
The IUPAC name of (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one (CID 47077501) is (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one.
What is the SMILES notation for (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one?
The canonical SMILES for (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one is O=C1/C(=C\c2csc(-c3ccsc3)n2)NC(=S)N1Cc1ccco1.
What is the InChIKey of (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one?
The InChIKey is AOQSDEZGZXPIBB-AWNIVKPZSA-N. The full InChI is InChI=1S/C16H11N3O2S3/c20-15-13(18-16(22)19(15)7-12-2-1-4-21-12)6-11-9-24-14(17-11)10-3-5-23-8-10/h1-6,8-9H,7H2,(H,18,22)/b13-6+.
What are the key properties of (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one?
(5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(furan-2-ylmethyl)-2-sulfanylidene-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 47077501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).