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

C17H13Cl2F3N2OS — CID 97496235

IUPAC(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCS[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2F3N2OS/c18-13-3-1-2-12(14(13)19)15-24(8-9-26-15)16(25)23-11-6-4-10(5-7-11)17(20,21)22/h1-7,15H,8-9H2,(H,23,25)/t15-/m1/s1
InChIKeySWYGRKNWTXLEPA-OAHLLOKOSA-N
MW421.27 g/mol
LogP6.29
Rot. Bonds2

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

(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 97496235) has the molecular formula C17H13Cl2F3N2OS and a molecular weight of 421.27 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID97496235
Molecular FormulaC17H13Cl2F3N2OS
Molecular Weight421.27 g/mol
Exact Mass420.01
IUPAC Name(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCS[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2F3N2OS/c18-13-3-1-2-12(14(13)19)15-24(8-9-26-15)16(25)23-11-6-4-10(5-7-11)17(20,21)22/h1-7,15H,8-9H2,(H,23,25)/t15-/m1/s1
InChIKeySWYGRKNWTXLEPA-OAHLLOKOSA-N
XLogP6.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.27
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7416385
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3636809
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
(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
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 97496235) is (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCS[C@@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is SWYGRKNWTXLEPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2OS/c18-13-3-1-2-12(14(13)19)15-24(8-9-26-15)16(25)23-11-6-4-10(5-7-11)17(20,21)22/h1-7,15H,8-9H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 421.27 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 97496235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).