2-(2-methyl-1,3-benzothiazol-6-yl)ethanol

C10H11NOS — CID 3241939

IUPAC2-(2-methyl-1,3-benzothiazol-6-yl)ethanol
SMILESCc1nc2ccc(CCO)cc2s1
InChIInChI=1S/C10H11NOS/c1-7-11-9-3-2-8(4-5-12)6-10(9)13-7/h2-3,6,12H,4-5H2,1H3
InChIKeyLNMXUZSATGFHQK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.14
Rot. Bonds2

About 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol

2-(2-methyl-1,3-benzothiazol-6-yl)ethanol (PubChem CID 3241939) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzothiazol-6-yl)ethanol
PubChem CID3241939
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(2-methyl-1,3-benzothiazol-6-yl)ethanol
SMILESCc1nc2ccc(CCO)cc2s1
InChIInChI=1S/C10H11NOS/c1-7-11-9-3-2-8(4-5-12)6-10(9)13-7/h2-3,6,12H,4-5H2,1H3
InChIKeyLNMXUZSATGFHQK-UHFFFAOYSA-N
XLogP2.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol (CID 3241939) is 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol is Cc1nc2ccc(CCO)cc2s1.
What is the InChIKey of 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol?
The InChIKey is LNMXUZSATGFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-11-9-3-2-8(4-5-12)6-10(9)13-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol?
2-(2-methyl-1,3-benzothiazol-6-yl)ethanol has a molecular weight of 193.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzothiazol-6-yl)ethanol is sourced from PubChem (CID 3241939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).