2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide

C18H19BrN2O2S — CID 122328954

IUPAC2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H19BrN2O2S/c1-12-11-15(23-2)7-8-16(12)20-18(22)21-9-10-24-17(21)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyULALTWUVTDUPFM-UHFFFAOYSA-N
MW407.33 g/mol
LogP5.05
Rot. Bonds3

About 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide

2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122328954) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122328954
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC2c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C18H19BrN2O2S/c1-12-11-15(23-2)7-8-16(12)20-18(22)21-9-10-24-17(21)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyULALTWUVTDUPFM-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.33
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 71915900
N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331362
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5210443
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide (CID 122328954) is 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(NC(=O)N2CCSC2c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is ULALTWUVTDUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-12-11-15(23-2)7-8-16(12)20-18(22)21-9-10-24-17(21)13-3-5-14(19)6-4-13/h3-8,11,17H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 407.33 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122328954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).