(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C20H24N2O5S — CID 1025612

IUPAC(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H24N2O5S/c1-24-14-5-6-17(18(12-14)27-4)21-20(23)22-7-8-28-19(22)13-9-15(25-2)11-16(10-13)26-3/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyOSBCCDMPCWTTBR-IBGZPJMESA-N
MW404.49 g/mol
LogP4.00
Rot. Bonds6

About (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025612) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025612
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H24N2O5S/c1-24-14-5-6-17(18(12-14)27-4)21-20(23)22-7-8-28-19(22)13-9-15(25-2)11-16(10-13)26-3/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23)/t19-/m0/s1
InChIKeyOSBCCDMPCWTTBR-IBGZPJMESA-N
XLogP4.00
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5210443
(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025606
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025612) is (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is OSBCCDMPCWTTBR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-24-14-5-6-17(18(12-14)27-4)21-20(23)22-7-8-28-19(22)13-9-15(25-2)11-16(10-13)26-3/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).