3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C14H13BrClNO3S — CID 107938010

IUPAC3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20)
InChIKeyKWYGSUWNOIBFCY-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.48
Rot. Bonds3

About 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107938010) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107938010
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20)
InChIKeyKWYGSUWNOIBFCY-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
3-(3,5-dibromobenzoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107971445
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
3-(3,5-dichlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780666
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728688
(2S,4S)-1-(3-bromo-5-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114018207
2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236298
3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
2-cyclopropyl-3-[(2-ethylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114109060
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 107938010) is 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KWYGSUWNOIBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20).
What are the key properties of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 390.69 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107938010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).