[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

C15H10ClN3O2S — CID 162664247

IUPAC[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClN3O2S/c16-11-3-1-10(2-4-11)12-5-6-13(21-12)14(20)19-7-8-22-15(19)18-9-17/h1-6H,7-8H2/b18-15-
InChIKeyHDHGCOGSOREMSK-SDXDJHTJSA-N
MW331.78 g/mol
LogP3.63
Rot. Bonds2

About [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162664247) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162664247
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC Name[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H10ClN3O2S/c16-11-3-1-10(2-4-11)12-5-6-13(21-12)14(20)19-7-8-22-15(19)18-9-17/h1-6H,7-8H2/b18-15-
InChIKeyHDHGCOGSOREMSK-SDXDJHTJSA-N
XLogP3.63
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162664247) is [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is HDHGCOGSOREMSK-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c16-11-3-1-10(2-4-11)12-5-6-13(21-12)14(20)19-7-8-22-15(19)18-9-17/h1-6H,7-8H2/b18-15-.
What are the key properties of [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 331.78 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162664247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).