(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide

C16H15ClN2OS — CID 7409403

IUPAC(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h1-8,11,15H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyFJTHBGHVZYTAPH-HNNXBMFYSA-N
MW318.83 g/mol
LogP4.62
Rot. Bonds2

About (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide

(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide (PubChem CID 7409403) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
PubChem CID7409403
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h1-8,11,15H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyFJTHBGHVZYTAPH-HNNXBMFYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
(2R)-2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 1025456
N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 4062612
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide (CID 7409403) is (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccccc1)N1CCS[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is FJTHBGHVZYTAPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h1-8,11,15H,9-10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 318.83 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7409403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).