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

C18H19N3O5S — CID 7283013

IUPAC(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@H]2SCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O5S/c1-25-14-7-8-16(26-2)15(11-14)17-20(9-10-27-17)18(22)19-12-3-5-13(6-4-12)21(23)24/h3-8,11,17H,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyMUMFAWDOXIUHHE-QGZVFWFLSA-N
MW389.43 g/mol
LogP3.89
Rot. Bonds5

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

(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7283013) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7283013
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(OC)c([C@H]2SCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O5S/c1-25-14-7-8-16(26-2)15(11-14)17-20(9-10-27-17)18(22)19-12-3-5-13(6-4-12)21(23)24/h3-8,11,17H,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyMUMFAWDOXIUHHE-QGZVFWFLSA-N
XLogP3.89
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330645
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide (CID 7283013) is (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(OC)c([C@H]2SCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is MUMFAWDOXIUHHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-25-14-7-8-16(26-2)15(11-14)17-20(9-10-27-17)18(22)19-12-3-5-13(6-4-12)21(23)24/h3-8,11,17H,9-10H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7283013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).