2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide

C19H21BrN2O3S — CID 122330056

IUPAC2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2cc(Br)ccc2OC)c(C)c1
InChIInChI=1S/C19H21BrN2O3S/c1-12-10-14(24-2)5-6-16(12)21-19(23)22-8-9-26-18(22)15-11-13(20)4-7-17(15)25-3/h4-7,10-11,18H,8-9H2,1-3H3,(H,21,23)
InChIKeyLMMQDFXIRQIAIW-UHFFFAOYSA-N
MW437.36 g/mol
LogP5.05
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide

2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330056) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330056
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2cc(Br)ccc2OC)c(C)c1
InChIInChI=1S/C19H21BrN2O3S/c1-12-10-14(24-2)5-6-16(12)21-19(23)22-8-9-26-18(22)15-11-13(20)4-7-17(15)25-3/h4-7,10-11,18H,8-9H2,1-3H3,(H,21,23)
InChIKeyLMMQDFXIRQIAIW-UHFFFAOYSA-N
XLogP5.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide with MolForge

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Related Compounds

(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330064
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188
N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 71915900
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
1-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-3-cyclohexylpropan-1-one
CID 122330021

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide (CID 122330056) is 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(NC(=O)N2CCSC2c2cc(Br)ccc2OC)c(C)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is LMMQDFXIRQIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-12-10-14(24-2)5-6-16(12)21-19(23)22-8-9-26-18(22)15-11-13(20)4-7-17(15)25-3/h4-7,10-11,18H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).