2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide

C13H12F2N2O3S3 — CID 16850068

IUPAC2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCSCc1csc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)n1
InChIInChI=1S/C13H12F2N2O3S3/c1-21-6-8-7-22-13(16-8)17-11(18)9-4-2-3-5-10(9)23(19,20)12(14)15/h2-5,7,12H,6H2,1H3,(H,16,17,18)
InChIKeyPLMSJPVEVMVNGC-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.25
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide

2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16850068) has the molecular formula C13H12F2N2O3S3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16850068
Molecular FormulaC13H12F2N2O3S3
Molecular Weight378.45 g/mol
Exact Mass378.00
IUPAC Name2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCSCc1csc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)n1
InChIInChI=1S/C13H12F2N2O3S3/c1-21-6-8-7-22-13(16-8)17-11(18)9-4-2-3-5-10(9)23(19,20)12(14)15/h2-5,7,12H,6H2,1H3,(H,16,17,18)
InChIKeyPLMSJPVEVMVNGC-UHFFFAOYSA-N
XLogP3.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 16850033
2-(difluoromethylsulfonyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356295
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
2-bromo-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 16850106
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
2-[2-[[4-(methylsulfanylmethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43242168
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide (CID 16850068) is 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide is CSCc1csc(NC(=O)c2ccccc2S(=O)(=O)C(F)F)n1.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PLMSJPVEVMVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S3/c1-21-6-8-7-22-13(16-8)17-11(18)9-4-2-3-5-10(9)23(19,20)12(14)15/h2-5,7,12H,6H2,1H3,(H,16,17,18).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16850068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).