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

C12H13F3N2OS2 — CID 43704766

IUPACN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)C1CSCN1
InChIInChI=1S/C12H13F3N2OS2/c13-12(14,15)6-20-10-4-2-1-3-8(10)17-11(18)9-5-19-7-16-9/h1-4,9,16H,5-7H2,(H,17,18)
InChIKeyDNUANSVAVASRSD-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.94
Rot. Bonds4

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

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43704766) has the molecular formula C12H13F3N2OS2 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43704766
Molecular FormulaC12H13F3N2OS2
Molecular Weight322.38 g/mol
Exact Mass322.04
IUPAC NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)C1CSCN1
InChIInChI=1S/C12H13F3N2OS2/c13-12(14,15)6-20-10-4-2-1-3-8(10)17-11(18)9-5-19-7-16-9/h1-4,9,16H,5-7H2,(H,17,18)
InChIKeyDNUANSVAVASRSD-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 24711846
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 43704741
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-(2-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 43185178
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
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-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43704766) is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccccc1SCC(F)(F)F)C1CSCN1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DNUANSVAVASRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS2/c13-12(14,15)6-20-10-4-2-1-3-8(10)17-11(18)9-5-19-7-16-9/h1-4,9,16H,5-7H2,(H,17,18).
What are the key properties of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43704766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).