N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide

C20H17F3N2OS2 — CID 2353835

IUPACN-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc2ccc(SC(F)F)cc2s1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C20H17F3N2OS2/c21-14-6-2-1-5-13(14)20(9-3-4-10-20)17(26)25-19-24-15-8-7-12(27-18(22)23)11-16(15)28-19/h1-2,5-8,11,18H,3-4,9-10H2,(H,24,25,26)
InChIKeyNGSLBTBHPLIVKB-UHFFFAOYSA-N
MW422.50 g/mol
LogP6.20
Rot. Bonds5

About N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide

N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 2353835) has the molecular formula C20H17F3N2OS2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID2353835
Molecular FormulaC20H17F3N2OS2
Molecular Weight422.50 g/mol
Exact Mass422.07
IUPAC NameN-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc2ccc(SC(F)F)cc2s1)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C20H17F3N2OS2/c21-14-6-2-1-5-13(14)20(9-3-4-10-20)17(26)25-19-24-15-8-7-12(27-18(22)23)11-16(15)28-19/h1-2,5-8,11,18H,3-4,9-10H2,(H,24,25,26)
InChIKeyNGSLBTBHPLIVKB-UHFFFAOYSA-N
XLogP6.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-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

(3R)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41273273
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 2381318
4-bromo-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]benzamide
CID 2398712
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
1-(2-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110439770
2-(4-chlorophenyl)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]quinoline-4-carboxamide
CID 2378725
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3,4-dimethoxybenzamide
CID 2308587
5-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 5038841
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
2-(4-bromophenoxy)-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]propanamide
CID 18837981
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509129

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide (CID 2353835) is N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide is O=C(Nc1nc2ccc(SC(F)F)cc2s1)C1(c2ccccc2F)CCCC1.
What is the InChIKey of N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is NGSLBTBHPLIVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS2/c21-14-6-2-1-5-13(14)20(9-3-4-10-20)17(26)25-19-24-15-8-7-12(27-18(22)23)11-16(15)28-19/h1-2,5-8,11,18H,3-4,9-10H2,(H,24,25,26).
What are the key properties of N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-(2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2353835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).