[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide

C15H11N3O2S — CID 162677218

IUPAC[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O2S/c16-10-17-15-18(8-9-21-15)14(19)13-7-6-12(20-13)11-4-2-1-3-5-11/h1-7H,8-9H2/b17-15-
InChIKeyYIKDZYCLCSLUKI-ICFOKQHNSA-N
MW297.34 g/mol
LogP2.97
Rot. Bonds2

About [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide

[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162677218) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162677218
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1C(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H11N3O2S/c16-10-17-15-18(8-9-21-15)14(19)13-7-6-12(20-13)11-4-2-1-3-5-11/h1-7H,8-9H2/b17-15-
InChIKeyYIKDZYCLCSLUKI-ICFOKQHNSA-N
XLogP2.97
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.97
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-phenylfuran-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

Related Compounds

(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 14306192
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
2-iodo-1-(5-phenylfuran-2-yl)ethanone
CID 89379473
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
CID 166205934
cyclopenta[b]pyran-2-carboxylic acid
CID 141029031
1-(5-phenylfuran-2-yl)propan-1-one
CID 62631331
N-(diaminomethylidene)-5-phenylfuran-2-carboxamide
CID 11470226
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857

Frequently Asked Questions

What is the IUPAC name of [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide (CID 162677218) is [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1C(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is YIKDZYCLCSLUKI-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-10-17-15-18(8-9-21-15)14(19)13-7-6-12(20-13)11-4-2-1-3-5-11/h1-7H,8-9H2/b17-15-.
What are the key properties of [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide?
[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 297.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162677218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).