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

C11H10ClF3N2OS — CID 43099268

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CSCN1
InChIInChI=1S/C11H10ClF3N2OS/c12-6-1-2-8(7(3-6)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-3,9,16H,4-5H2,(H,17,18)
InChIKeyTWWPBEMNIJLMCK-UHFFFAOYSA-N
MW310.73 g/mol
LogP2.96
Rot. Bonds2

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43099268) has the molecular formula C11H10ClF3N2OS and a molecular weight of 310.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43099268
Molecular FormulaC11H10ClF3N2OS
Molecular Weight310.73 g/mol
Exact Mass310.02
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CSCN1
InChIInChI=1S/C11H10ClF3N2OS/c12-6-1-2-8(7(3-6)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-3,9,16H,4-5H2,(H,17,18)
InChIKeyTWWPBEMNIJLMCK-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4969408
3-Benzyl-5-[(4-chlorophenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2910124
(Z)-N-(4-chlorophenyl)-2-(2,4-dioxo-3-(2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thiazolidin-5-ylidene)acetamide
CID 2065555
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 2344699
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]acetamide
CID 8195578
(2S)-2-amino-N-(4-chloro-2-methylphenyl)propanamide
CID 22690501
(2R)-2-amino-N-(4-chloro-2-methylphenyl)propanamide
CID 28179614
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 97448933
N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002966
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2495777
(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 42579933

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43099268) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CSCN1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is TWWPBEMNIJLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2OS/c12-6-1-2-8(7(3-6)11(13,14)15)17-10(18)9-4-19-5-16-9/h1-3,9,16H,4-5H2,(H,17,18).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.73 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43099268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).