1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one

C15H14ClNO2S — CID 10518838

IUPAC1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one
SMILESCOc1ccccc1S1(Cl)c2ccccc2C(=O)N1C
InChIInChI=1S/C15H14ClNO2S/c1-17-15(18)11-7-3-5-9-13(11)20(17,16)14-10-6-4-8-12(14)19-2/h3-10H,1-2H3
InChIKeyYTUFFHMYXZXIHJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.07
Rot. Bonds2

About 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one

1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one (PubChem CID 10518838) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one
PubChem CID10518838
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one
SMILESCOc1ccccc1S1(Cl)c2ccccc2C(=O)N1C
InChIInChI=1S/C15H14ClNO2S/c1-17-15(18)11-7-3-5-9-13(11)20(17,16)14-10-6-4-8-12(14)19-2/h3-10H,1-2H3
InChIKeyYTUFFHMYXZXIHJ-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-Methoxyphenyl)propanoyl]-1,2-benzothiazol-3-one
CID 101879103
2-[3-(4-Methoxyphenyl)propanoyl]-1,2-benzothiazol-3-one
CID 101879104
2-[2-(2-Methoxyphenyl)acetyl]-1,2-benzothiazol-3-one
CID 118724011
2-[2-(4-Methoxyphenyl)acetyl]-1,2-benzothiazol-3-one
CID 118724013
2-[4-(4-Methoxyphenyl)butanoyl]-1,2-benzothiazol-3-one
CID 118724033
5-Methoxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
CID 155513347
6-Methoxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
CID 155545930
2-[(3-Methoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 4879901
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 24982501
2-[(4-Methoxyphenyl)methyl]-1,2-benzothiazol-3-one
CID 9900136
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25162766
1,1-Dioxo-2-(phenoxymethyl)-1,2-benzothiazol-3-one
CID 14957916

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one?
The IUPAC name of 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one (CID 10518838) is 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one?
The canonical SMILES for 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one is COc1ccccc1S1(Cl)c2ccccc2C(=O)N1C.
What is the InChIKey of 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one?
The InChIKey is YTUFFHMYXZXIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-17-15(18)11-7-3-5-9-13(11)20(17,16)14-10-6-4-8-12(14)19-2/h3-10H,1-2H3.
What are the key properties of 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one?
1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one has a molecular weight of 307.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-methoxyphenyl)-2-methyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 10518838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).