2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide

C18H20F2N4O2S — CID 46113945

IUPAC2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O2S/c1-2-24-7-3-4-12(24)9-21-17(26)15-10-27-18(22-15)23-16(25)11-5-6-13(19)14(20)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyAXFWLBOBASHNNA-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.89
Rot. Bonds6

About 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46113945) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46113945
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C18H20F2N4O2S/c1-2-24-7-3-4-12(24)9-21-17(26)15-10-27-18(22-15)23-16(25)11-5-6-13(19)14(20)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyAXFWLBOBASHNNA-UHFFFAOYSA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-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

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
2-[(3,4-difluorobenzoyl)amino]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 46113964
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
8-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide
CID 122174883
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711907
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 46113945) is 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide is CCN1CCCC1CNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AXFWLBOBASHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c1-2-24-7-3-4-12(24)9-21-17(26)15-10-27-18(22-15)23-16(25)11-5-6-13(19)14(20)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).