N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide

C15H11N3O2S2 — CID 738234

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1
InChIInChI=1S/C15H11N3O2S2/c19-13(12-7-4-8-20-12)17-14(21)18-15-16-11(9-22-15)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19,21)
InChIKeyPXKKBCJSETYFNQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.53
Rot. Bonds3

About N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide

N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide (PubChem CID 738234) has the molecular formula C15H11N3O2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
PubChem CID738234
Molecular FormulaC15H11N3O2S2
Molecular Weight329.41 g/mol
Exact Mass329.03
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1
InChIInChI=1S/C15H11N3O2S2/c19-13(12-7-4-8-20-12)17-14(21)18-15-16-11(9-22-15)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19,21)
InChIKeyPXKKBCJSETYFNQ-UHFFFAOYSA-N
XLogP3.53
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide 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 N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide (CID 738234) is N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide?
The InChIKey is PXKKBCJSETYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S2/c19-13(12-7-4-8-20-12)17-14(21)18-15-16-11(9-22-15)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19,21).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide?
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 738234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).