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

C18H19BrN2O3S — CID 45153968

IUPAC2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)N2CCSC2c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O3S/c1-23-14-5-3-4-13(11-14)20-18(22)21-8-9-25-17(21)12-6-7-16(24-2)15(19)10-12/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22)
InChIKeyJWGXFIXFEXLGII-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.75
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 45153968) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID45153968
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)N2CCSC2c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O3S/c1-23-14-5-3-4-13(11-14)20-18(22)21-8-9-25-17(21)12-6-7-16(24-2)15(19)10-12/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22)
InChIKeyJWGXFIXFEXLGII-UHFFFAOYSA-N
XLogP4.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122329874
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331378
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330698
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 45153968) is 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cccc(NC(=O)N2CCSC2c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is JWGXFIXFEXLGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-23-14-5-3-4-13(11-14)20-18(22)21-8-9-25-17(21)12-6-7-16(24-2)15(19)10-12/h3-7,10-11,17H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 45153968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).