propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate

C22H24ClNO5S — CID 4652700

IUPACpropan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOc1ccc(C(=O)N2C(C(=O)OC(C)C)CSC2c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C22H24ClNO5S/c1-13(2)29-22(26)18-12-30-21(14-6-5-7-15(23)10-14)24(18)20(25)17-9-8-16(27-3)11-19(17)28-4/h5-11,13,18,21H,12H2,1-4H3
InChIKeyKGFDOMGPZMVJHD-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.57
Rot. Bonds6

About propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate

propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 4652700) has the molecular formula C22H24ClNO5S and a molecular weight of 449.96 g/mol. Its IUPAC name is propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID4652700
Molecular FormulaC22H24ClNO5S
Molecular Weight449.96 g/mol
Exact Mass449.11
IUPAC Namepropan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCOc1ccc(C(=O)N2C(C(=O)OC(C)C)CSC2c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C22H24ClNO5S/c1-13(2)29-22(26)18-12-30-21(14-6-5-7-15(23)10-14)24(18)20(25)17-9-8-16(27-3)11-19(17)28-4/h5-11,13,18,21H,12H2,1-4H3
InChIKeyKGFDOMGPZMVJHD-UHFFFAOYSA-N
XLogP4.57
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758
methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061757
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
3-(2,4-dimethoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793202
ethyl 3-(2-chloro-4-nitrobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728980
2-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 3999349
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
butyl 2-(3-chlorophenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42729576
butyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42658113
2-methylpropyl 2-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729397
butyl 2-(3-chlorophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42658103
2-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 4224474

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate (CID 4652700) is propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate is COc1ccc(C(=O)N2C(C(=O)OC(C)C)CSC2c2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is KGFDOMGPZMVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO5S/c1-13(2)29-22(26)18-12-30-21(14-6-5-7-15(23)10-14)24(18)20(25)17-9-8-16(27-3)11-19(17)28-4/h5-11,13,18,21H,12H2,1-4H3.
What are the key properties of propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate?
propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 449.96 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-chlorophenyl)-3-(2,4-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 4652700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).