propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate

C18H23Cl2NO3S — CID 42729277

IUPACpropyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)CC(C)C
InChIInChI=1S/C18H23Cl2NO3S/c1-4-7-24-18(23)15-10-25-17(21(15)16(22)8-11(2)3)12-5-6-13(19)14(20)9-12/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3
InChIKeyVKYZGBQZSJHFTH-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.94
Rot. Bonds6

About propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate

propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42729277) has the molecular formula C18H23Cl2NO3S and a molecular weight of 404.36 g/mol. Its IUPAC name is propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42729277
Molecular FormulaC18H23Cl2NO3S
Molecular Weight404.36 g/mol
Exact Mass403.08
IUPAC Namepropyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)CC(C)C
InChIInChI=1S/C18H23Cl2NO3S/c1-4-7-24-18(23)15-10-25-17(21(15)16(22)8-11(2)3)12-5-6-13(19)14(20)9-12/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3
InChIKeyVKYZGBQZSJHFTH-UHFFFAOYSA-N
XLogP4.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl 2-(3,4-dichlorophenyl)-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylate
CID 42729261
propyl 3-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 3401669
propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729271
propyl 3-(1,3-benzodioxole-5-carbonyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729273
2-methylpropyl (2S,4S)-3-(3-methylbutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809707
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586
2-methylpropyl 2-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729397
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
propyl 2-(3-chlorophenyl)-3-(3-phenylprop-2-enoyl)-1,3-thiazolidine-4-carboxylate
CID 3388333
2-methylpropyl (2R,4R)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809693
2-methylpropyl (2R,4S)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809690

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate (CID 42729277) is propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1CSC(c2ccc(Cl)c(Cl)c2)N1C(=O)CC(C)C.
What is the InChIKey of propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is VKYZGBQZSJHFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO3S/c1-4-7-24-18(23)15-10-25-17(21(15)16(22)8-11(2)3)12-5-6-13(19)14(20)9-12/h5-6,9,11,15,17H,4,7-8,10H2,1-3H3.
What are the key properties of propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate?
propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 404.36 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3,4-dichlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).