methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

C19H15ClF3NO3S — CID 42728775

IUPACmethyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3NO3S/c1-27-18(26)15-10-28-17(13-7-2-3-8-14(13)20)24(15)16(25)11-5-4-6-12(9-11)19(21,22)23/h2-9,15,17H,10H2,1H3
InChIKeyDKAPMXYERNTHBQ-UHFFFAOYSA-N
MW429.85 g/mol
LogP4.79
Rot. Bonds3

About methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 42728775) has the molecular formula C19H15ClF3NO3S and a molecular weight of 429.85 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID42728775
Molecular FormulaC19H15ClF3NO3S
Molecular Weight429.85 g/mol
Exact Mass429.04
IUPAC Namemethyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccccc2Cl)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3NO3S/c1-27-18(26)15-10-28-17(13-7-2-3-8-14(13)20)24(15)16(25)11-5-4-6-12(9-11)19(21,22)23/h2-9,15,17H,10H2,1H3
InChIKeyDKAPMXYERNTHBQ-UHFFFAOYSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42727904
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
methyl (2R,4R)-2-(2-chlorophenyl)-3-(4-iodobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 146026666
2-methylpropyl 2-(2-chlorophenyl)-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42744591
methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051119
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
methyl 2-(2-chlorophenyl)-3-[(2-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 42728786
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (CID 42728775) is methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(c2ccccc2Cl)N1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is DKAPMXYERNTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3S/c1-27-18(26)15-10-28-17(13-7-2-3-8-14(13)20)24(15)16(25)11-5-4-6-12(9-11)19(21,22)23/h2-9,15,17H,10H2,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 429.85 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).