N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide

C11H12F2N2OS2 — CID 24711846

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)C1CSCN1
InChIInChI=1S/C11H12F2N2OS2/c12-11(13)18-9-4-2-1-3-7(9)15-10(16)8-5-17-6-14-8/h1-4,8,11,14H,5-6H2,(H,15,16)
InChIKeyOXDDTUCKKUPWOY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide

N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 24711846) has the molecular formula C11H12F2N2OS2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID24711846
Molecular FormulaC11H12F2N2OS2
Molecular Weight290.36 g/mol
Exact Mass290.04
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)C1CSCN1
InChIInChI=1S/C11H12F2N2OS2/c12-11(13)18-9-4-2-1-3-7(9)15-10(16)8-5-17-6-14-8/h1-4,8,11,14H,5-6H2,(H,15,16)
InChIKeyOXDDTUCKKUPWOY-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43704766
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-[2-(difluoromethylsulfanyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107433437
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 24711846) is N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccccc1SC(F)F)C1CSCN1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OXDDTUCKKUPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS2/c12-11(13)18-9-4-2-1-3-7(9)15-10(16)8-5-17-6-14-8/h1-4,8,11,14H,5-6H2,(H,15,16).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24711846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).