(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate

C11H8ClNO2S — CID 121219116

IUPAC(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)nsc1Cl
InChIInChI=1S/C11H8ClNO2S/c1-7(14)15-10-9(13-16-11(10)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyOVLGTJVAYZHOHP-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.39
Rot. Bonds2

About (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate

(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate (PubChem CID 121219116) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate.

Molecular Properties

Compound Name(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
PubChem CID121219116
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)nsc1Cl
InChIInChI=1S/C11H8ClNO2S/c1-7(14)15-10-9(13-16-11(10)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyOVLGTJVAYZHOHP-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-phenyl-1,2-thiazole-5-carboxylic acid
CID 13073240
(3-acetyloxy-2-chloro-4-phenylphenyl) acetate
CID 139930381
[2,3,6-triacetyloxy-4-chloro-5-[ethyl(phenyl)phosphanyl]phenyl] acetate
CID 160570903
(2-chloro-3-phenylphenyl) acetate
CID 54501671
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
CID 69072680
(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068
(6-amino-3-phenylpyridazin-4-yl) acetate
CID 110272658
(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate
CID 10753668
1-(4,5-dichloro-6-phenyl-2-pyridinyl)ethanone
CID 123344336

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate?
The IUPAC name of (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate (CID 121219116) is (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate.
What is the SMILES notation for (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate?
The canonical SMILES for (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate is CC(=O)Oc1c(-c2ccccc2)nsc1Cl.
What is the InChIKey of (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate?
The InChIKey is OVLGTJVAYZHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-7(14)15-10-9(13-16-11(10)12)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate?
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate has a molecular weight of 253.71 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate is sourced from PubChem (CID 121219116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).