4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C22H18N4O2S — CID 8797035

IUPAC4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)cc1C
InChIInChI=1S/C22H18N4O2S/c1-13-6-7-16(10-14(13)2)18-12-29-22(24-18)25-20(27)19-15(3)28-21(17(19)11-23)26-8-4-5-9-26/h4-10,12H,1-3H3,(H,24,25,27)
InChIKeyXLGJRMXBKZCDGQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.24
Rot. Bonds4

About 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 8797035) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID8797035
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)cc1C
InChIInChI=1S/C22H18N4O2S/c1-13-6-7-16(10-14(13)2)18-12-29-22(24-18)25-20(27)19-15(3)28-21(17(19)11-23)26-8-4-5-9-26/h4-10,12H,1-3H3,(H,24,25,27)
InChIKeyXLGJRMXBKZCDGQ-UHFFFAOYSA-N
XLogP5.24
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

Analyze 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-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

Related Compounds

2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
4-cyano-2-methyl-5-pyrrol-1-yl-N-quinolin-6-ylfuran-3-carboxamide
CID 78887692
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124109
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
4-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 47026194
4-cyano-N-(2-fluoro-5-nitrophenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 78809058
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476709

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 8797035) is 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)n2)cc1C.
What is the InChIKey of 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is XLGJRMXBKZCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-13-6-7-16(10-14(13)2)18-12-29-22(24-18)25-20(27)19-15(3)28-21(17(19)11-23)26-8-4-5-9-26/h4-10,12H,1-3H3,(H,24,25,27).
What are the key properties of 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 8797035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).