2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H10ClNOS — CID 50988845

IUPAC2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(-c3ccc(Cl)cc3)sc21
InChIInChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKeyXXCCTQYLMPIBBY-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 50988845) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID50988845
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(-c3ccc(Cl)cc3)sc21
InChIInChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKeyXXCCTQYLMPIBBY-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 2728459
1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
(E)-1-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(dimethylamino)-2-propen-1-one
CID 1477652
2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
CID 2794647
2-(2-phenylethynyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 53235518
2-[(4-Chlorophenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone
CID 1477664
(E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5920616
S-ethyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carbothioate
CID 51355721
S-methyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carbothioate
CID 51355722
1-[2-(4-Chlorophenyl)-4-(dibromomethyl)-1,3-thiazol-5-yl]ethanone
CID 51355981
4-Methyl-2-phenyl-thiazole-5-carbonyl chloride
CID 2776120

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 50988845) is 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CCCc2nc(-c3ccc(Cl)cc3)sc21.
What is the InChIKey of 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is XXCCTQYLMPIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2.
What are the key properties of 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 263.75 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 50988845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).