1-(1,3-benzothiazol-5-yl)ethanol

C9H9NOS — CID 45077207

IUPAC1-(1,3-benzothiazol-5-yl)ethanol
SMILESCC(O)c1ccc2scnc2c1
InChIInChI=1S/C9H9NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-6,11H,1H3
InChIKeyOKPBVDZHVNDNKR-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.35
Rot. Bonds1

About 1-(1,3-benzothiazol-5-yl)ethanol

1-(1,3-benzothiazol-5-yl)ethanol (PubChem CID 45077207) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)ethanol
PubChem CID45077207
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-(1,3-benzothiazol-5-yl)ethanol
SMILESCC(O)c1ccc2scnc2c1
InChIInChI=1S/C9H9NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-6,11H,1H3
InChIKeyOKPBVDZHVNDNKR-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

1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
5-(difluoromethyl)-1,3-benzothiazole
CID 84660003
5-pentan-3-yl-1,3-benzothiazole
CID 142928032
2-(1,3-benzothiazol-5-yl)-3,3-dimethylbutanoic acid
CID 18613621
1,3-benzothiazol-5-ol
CID 3596506
5-(1-piperazin-1-ylethyl)-1,3-benzothiazole;dihydrochloride
CID 127264088
azane;5-methyl-1,3-benzothiazole
CID 174920703
5-(3-methylbutyl)-1,3-benzothiazole
CID 58439655
1-(1,3-benzothiazol-6-yl)ethanethiol
CID 167025072
1,3-benzothiazole-5-thiol
CID 14944486
N,N-dimethyl-1,3-benzothiazol-5-amine
CID 22609017

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)ethanol?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)ethanol (CID 45077207) is 1-(1,3-benzothiazol-5-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)ethanol?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)ethanol is CC(O)c1ccc2scnc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)ethanol?
The InChIKey is OKPBVDZHVNDNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-6,11H,1H3.
What are the key properties of 1-(1,3-benzothiazol-5-yl)ethanol?
1-(1,3-benzothiazol-5-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-(1,3-benzothiazol-5-yl)ethanol is sourced from PubChem (CID 45077207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).