1-(1,2-benzothiazol-4-yl)ethanol

C9H9NOS — CID 119087853

IUPAC1-(1,2-benzothiazol-4-yl)ethanol
SMILESCC(O)c1cccc2sncc12
InChIInChI=1S/C9H9NOS/c1-6(11)7-3-2-4-9-8(7)5-10-12-9/h2-6,11H,1H3
InChIKeyLVABJFWRYTWAQZ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.35
Rot. Bonds1

About 1-(1,2-benzothiazol-4-yl)ethanol

1-(1,2-benzothiazol-4-yl)ethanol (PubChem CID 119087853) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,2-benzothiazol-4-yl)ethanol
PubChem CID119087853
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-(1,2-benzothiazol-4-yl)ethanol
SMILESCC(O)c1cccc2sncc12
InChIInChI=1S/C9H9NOS/c1-6(11)7-3-2-4-9-8(7)5-10-12-9/h2-6,11H,1H3
InChIKeyLVABJFWRYTWAQZ-UHFFFAOYSA-N
XLogP2.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-1,2-benzothiazole
CID 121231915
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(1R)-1-quinolin-5-ylethanol
CID 86326294
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
(1R)-1-(3-fluoro-2-pyridin-3-yloxyphenyl)ethanol
CID 114059302
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
2-bromo-3-[(1R)-1-hydroxyethyl]phenol
CID 118486754
2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
1-(2,3-diaminophenyl)ethanol
CID 18668016
1-(4-methylquinolin-8-yl)ethanol
CID 82575957
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
1-(4-aminoisoquinolin-5-yl)ethanol
CID 118547446

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-4-yl)ethanol?
The IUPAC name of 1-(1,2-benzothiazol-4-yl)ethanol (CID 119087853) is 1-(1,2-benzothiazol-4-yl)ethanol.
What is the SMILES notation for 1-(1,2-benzothiazol-4-yl)ethanol?
The canonical SMILES for 1-(1,2-benzothiazol-4-yl)ethanol is CC(O)c1cccc2sncc12.
What is the InChIKey of 1-(1,2-benzothiazol-4-yl)ethanol?
The InChIKey is LVABJFWRYTWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6(11)7-3-2-4-9-8(7)5-10-12-9/h2-6,11H,1H3.
What are the key properties of 1-(1,2-benzothiazol-4-yl)ethanol?
1-(1,2-benzothiazol-4-yl)ethanol has a molecular weight of 179.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-4-yl)ethanol is sourced from PubChem (CID 119087853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).