2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide

C17H17ClN2O2S — CID 5168614

IUPAC2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2S/c1-22-15-8-3-2-7-14(15)19-17(21)20-9-10-23-16(20)12-5-4-6-13(18)11-12/h2-8,11,16H,9-10H2,1H3,(H,19,21)
InChIKeyWQPQCORGPYXQAL-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.63
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5168614) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5168614
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2S/c1-22-15-8-3-2-7-14(15)19-17(21)20-9-10-23-16(20)12-5-4-6-13(18)11-12/h2-8,11,16H,9-10H2,1H3,(H,19,21)
InChIKeyWQPQCORGPYXQAL-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
N-(2-ethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4101158
2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 122331018
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 5168614) is 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccccc1NC(=O)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is WQPQCORGPYXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-22-15-8-3-2-7-14(15)19-17(21)20-9-10-23-16(20)12-5-4-6-13(18)11-12/h2-8,11,16H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5168614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).