(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C17H16ClFN2OS — CID 7301691

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN2OS/c1-11-6-7-12(10-14(11)18)20-17(22)21-8-9-23-16(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyONXJSAVFIWKUPB-INIZCTEOSA-N
MW350.85 g/mol
LogP5.07
Rot. Bonds2

About (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide

(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7301691) has the molecular formula C17H16ClFN2OS and a molecular weight of 350.85 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7301691
Molecular FormulaC17H16ClFN2OS
Molecular Weight350.85 g/mol
Exact Mass350.07
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN2OS/c1-11-6-7-12(10-14(11)18)20-17(22)21-8-9-23-16(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyONXJSAVFIWKUPB-INIZCTEOSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7499220
N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 86264755
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330064
(2R)-2-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7440090
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 7301691) is (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is ONXJSAVFIWKUPB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16ClFN2OS/c1-11-6-7-12(10-14(11)18)20-17(22)21-8-9-23-16(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7301691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).