(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide

C18H20N2O3S — CID 816356

IUPAC(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-15-10-13(11-16(12-15)23-2)17-20(8-9-24-17)18(21)19-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyPVXYFRRYSPHUSE-QGZVFWFLSA-N
MW344.44 g/mol
LogP3.98
Rot. Bonds4

About (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide

(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide (PubChem CID 816356) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
PubChem CID816356
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O3S/c1-22-15-10-13(11-16(12-15)23-2)17-20(8-9-24-17)18(21)19-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyPVXYFRRYSPHUSE-QGZVFWFLSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025606

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide (CID 816356) is (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide is COc1cc(OC)cc([C@H]2SCCN2C(=O)Nc2ccccc2)c1.
What is the InChIKey of (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is PVXYFRRYSPHUSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-15-10-13(11-16(12-15)23-2)17-20(8-9-24-17)18(21)19-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide?
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 816356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).