propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate

C20H20ClNO3S — CID 7231770

IUPACpropyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1
InChIInChI=1S/C20H20ClNO3S/c1-2-12-25-20(24)17-13-26-19(15-10-6-7-11-16(15)21)22(17)18(23)14-8-4-3-5-9-14/h3-11,17,19H,2,12-13H2,1H3/t17-,19-/m0/s1
InChIKeyKVWUHTPYQQOBJT-HKUYNNGSSA-N
MW389.90 g/mol
LogP4.55
Rot. Bonds5

About propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate

propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 7231770) has the molecular formula C20H20ClNO3S and a molecular weight of 389.90 g/mol. Its IUPAC name is propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID7231770
Molecular FormulaC20H20ClNO3S
Molecular Weight389.90 g/mol
Exact Mass389.09
IUPAC Namepropyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1
InChIInChI=1S/C20H20ClNO3S/c1-2-12-25-20(24)17-13-26-19(15-10-6-7-11-16(15)21)22(17)18(23)14-8-4-3-5-9-14/h3-11,17,19H,2,12-13H2,1H3/t17-,19-/m0/s1
InChIKeyKVWUHTPYQQOBJT-HKUYNNGSSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
propyl (2R,4S)-2-(2-chlorophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 7416813
propyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate
CID 7439910
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
butyl 2-(2-chlorophenyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4552881
methyl (2R,4R)-2-(2-chlorophenyl)-3-(4-iodobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 146026666
butyl 2-(2-chlorophenyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate
CID 42744574
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809
2-methylpropyl 2-(2-chlorophenyl)-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42744591
butyl 2-(2-chlorophenyl)-3-(2-phenylcyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylate
CID 4020625
propyl 3-(3-bromobenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42729271
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826

Frequently Asked Questions

What is the IUPAC name of propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 7231770) is propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate is CCCOC(=O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1.
What is the InChIKey of propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is KVWUHTPYQQOBJT-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H20ClNO3S/c1-2-12-25-20(24)17-13-26-19(15-10-6-7-11-16(15)21)22(17)18(23)14-8-4-3-5-9-14/h3-11,17,19H,2,12-13H2,1H3/t17-,19-/m0/s1.
What are the key properties of propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 389.90 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7231770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).