N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide

C19H18N4O3S — CID 40633053

IUPACN-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(-n3ccnc3)cc2)c(C)o1
InChIInChI=1S/C19H18N4O3S/c1-12-9-16(13(2)26-12)18(25)21-23-17(24)10-27-19(23)14-3-5-15(6-4-14)22-8-7-20-11-22/h3-9,11,19H,10H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyYYSNTTSWRBWJQF-LJQANCHMSA-N
MW382.45 g/mol
LogP3.00
Rot. Bonds4

About N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide

N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 40633053) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID40633053
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(-n3ccnc3)cc2)c(C)o1
InChIInChI=1S/C19H18N4O3S/c1-12-9-16(13(2)26-12)18(25)21-23-17(24)10-27-19(23)14-3-5-15(6-4-14)22-8-7-20-11-22/h3-9,11,19H,10H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyYYSNTTSWRBWJQF-LJQANCHMSA-N
XLogP3.00
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-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-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 40633053) is N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN2C(=O)CS[C@@H]2c2ccc(-n3ccnc3)cc2)c(C)o1.
What is the InChIKey of N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YYSNTTSWRBWJQF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-9-16(13(2)26-12)18(25)21-23-17(24)10-27-19(23)14-3-5-15(6-4-14)22-8-7-20-11-22/h3-9,11,19H,10H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide?
N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 40633053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).