1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone

C11H10ClNO4S — CID 153438830

IUPAC1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone
SMILESCOc1cc(C(=O)CO)c2nc(Cl)sc2c1OC
InChIInChI=1S/C11H10ClNO4S/c1-16-7-3-5(6(15)4-14)8-10(9(7)17-2)18-11(12)13-8/h3,14H,4H2,1-2H3
InChIKeyUEWHFTQQNPAUOW-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone

1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone (PubChem CID 153438830) has the molecular formula C11H10ClNO4S and a molecular weight of 287.72 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone
PubChem CID153438830
Molecular FormulaC11H10ClNO4S
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone
SMILESCOc1cc(C(=O)CO)c2nc(Cl)sc2c1OC
InChIInChI=1S/C11H10ClNO4S/c1-16-7-3-5(6(15)4-14)8-10(9(7)17-2)18-11(12)13-8/h3,14H,4H2,1-2H3
InChIKeyUEWHFTQQNPAUOW-UHFFFAOYSA-N
XLogP2.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
CID 134180984
1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
CID 130729609
methyl 4-chloro-2-(ethylamino)-7-methoxy-1,3-benzothiazole-6-carboxylate
CID 82549216
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
CID 82549217
2,3,8,9,14,15,20,21-octamethoxy-25,26-dithiaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 135032136
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
2-(hydroxymethyl)-6,7-dimethoxy-1-benzofuran-4-carboxylic acid
CID 22180864
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
CID 131030911
2-chloro-1-[5-methoxy-4-methyl-2-(methylamino)phenyl]ethanone
CID 45117928
5-chloro-3-methoxy-2-(methoxymethoxy)benzoic acid
CID 104665647
(5,6,7-trimethoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
CID 15086002

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone (CID 153438830) is 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone is COc1cc(C(=O)CO)c2nc(Cl)sc2c1OC.
What is the InChIKey of 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone?
The InChIKey is UEWHFTQQNPAUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S/c1-16-7-3-5(6(15)4-14)8-10(9(7)17-2)18-11(12)13-8/h3,14H,4H2,1-2H3.
What are the key properties of 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone?
1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone has a molecular weight of 287.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dimethoxy-1,3-benzothiazol-4-yl)-2-hydroxyethanone is sourced from PubChem (CID 153438830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).