2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide

C13H11F2N3O2S — CID 46114302

IUPAC2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H11F2N3O2S/c1-18(2)12(20)9-6-21-13(16-9)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,16,17,19)
InChIKeyFJAHBTNGBZBQMV-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.38
Rot. Bonds3

About 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 46114302) has the molecular formula C13H11F2N3O2S and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID46114302
Molecular FormulaC13H11F2N3O2S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC Name2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H11F2N3O2S/c1-18(2)12(20)9-6-21-13(16-9)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,16,17,19)
InChIKeyFJAHBTNGBZBQMV-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114215
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51248183
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-6-methoxybenzamide
CID 65432061
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 8502204
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 46114302) is 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is FJAHBTNGBZBQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2S/c1-18(2)12(20)9-6-21-13(16-9)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,16,17,19).
What are the key properties of 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46114302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).