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

C17H13F5N2OS — CID 1028933

IUPAC(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F5N2OS/c18-13-6-5-12(9-14(13)19)23-16(25)24-7-8-26-15(24)10-1-3-11(4-2-10)17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25)/t15-/m0/s1
InChIKeyWWMXSUHFNGKSNT-HNNXBMFYSA-N
MW388.36 g/mol
LogP5.26
Rot. Bonds2

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

(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 1028933) has the molecular formula C17H13F5N2OS and a molecular weight of 388.36 g/mol. Its IUPAC name is (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID1028933
Molecular FormulaC17H13F5N2OS
Molecular Weight388.36 g/mol
Exact Mass388.07
IUPAC Name(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F5N2OS/c18-13-6-5-12(9-14(13)19)23-16(25)24-7-8-26-15(24)10-1-3-11(4-2-10)17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25)/t15-/m0/s1
InChIKeyWWMXSUHFNGKSNT-HNNXBMFYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2R)-N-(3,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816275
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328975
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 1028933) is (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is WWMXSUHFNGKSNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13F5N2OS/c18-13-6-5-12(9-14(13)19)23-16(25)24-7-8-26-15(24)10-1-3-11(4-2-10)17(20,21)22/h1-6,9,15H,7-8H2,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 388.36 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1028933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).