[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate

C13H12ClNO2S — CID 44603814

IUPAC[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C13H12ClNO2S/c1-8(17-9(2)16)13-7-12(15-18-13)10-3-5-11(14)6-4-10/h3-8H,1-2H3/t8-/m1/s1
InChIKeyFGOSXYFDQFRCLB-MRVPVSSYSA-N
MW281.76 g/mol
LogP4.09
Rot. Bonds3

About [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate

[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate (PubChem CID 44603814) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate
PubChem CID44603814
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C13H12ClNO2S/c1-8(17-9(2)16)13-7-12(15-18-13)10-3-5-11(14)6-4-10/h3-8H,1-2H3/t8-/m1/s1
InChIKeyFGOSXYFDQFRCLB-MRVPVSSYSA-N
XLogP4.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-Chlorophenyl)-1,2-thiazol-5-yl]ethanol
CID 44603813
Tert-butyl 3-(2-chloro-4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 116688223
Tert-butyl 3-(3-chloro-2-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 116688241
Ethyl 3-(p-chlorophenyl)-5-isothiazolecarboxylate
CID 12437476
Methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
3-(4-Chloro-phenyl)-isothiazole-5-carboxylic acid methyl ester
CID 13073227
Ethyl 3-(2,4-dichlorophenyl)isothiazole-5-carboxylate
CID 68641844
Methyl 3-(2,4-dichlorophenyl)-isothiazole-5-carboxylate
CID 69881749
1-(4-chloro-3-methylphenyl)butyl propanoate;ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methyl-1,2-thiazole
CID 176967855
Tert-butyl 3-(4-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 113552532
Tert-butyl 3-(2,4-dichlorophenyl)-1,2-thiazole-5-carboxylate
CID 116688222
Tert-butyl 3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxylate
CID 116688231

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate?
The IUPAC name of [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate (CID 44603814) is [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate?
The canonical SMILES for [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate is CC(=O)O[C@H](C)c1cc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate?
The InChIKey is FGOSXYFDQFRCLB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8(17-9(2)16)13-7-12(15-18-13)10-3-5-11(14)6-4-10/h3-8H,1-2H3/t8-/m1/s1.
What are the key properties of [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate?
[(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate has a molecular weight of 281.76 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(4-chlorophenyl)-1,2-thiazol-5-yl]ethyl] acetate is sourced from PubChem (CID 44603814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).