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

C10H12N2OS — CID 870018

IUPAC2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol
SMILES[H]/N=c1\sc2cc(C)ccc2n1CCO
InChIInChI=1S/C10H12N2OS/c1-7-2-3-8-9(6-7)14-10(11)12(8)4-5-13/h2-3,6,11,13H,4-5H2,1H3/b11-10-
InChIKeyZYEGBHHNJNZJHT-KHPPLWFESA-N
MW208.29 g/mol
LogP1.48
Rot. Bonds2

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

2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol (PubChem CID 870018) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol
PubChem CID870018
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol
SMILES[H]/N=c1\sc2cc(C)ccc2n1CCO
InChIInChI=1S/C10H12N2OS/c1-7-2-3-8-9(6-7)14-10(11)12(8)4-5-13/h2-3,6,11,13H,4-5H2,1H3/b11-10-
InChIKeyZYEGBHHNJNZJHT-KHPPLWFESA-N
XLogP1.48
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol?
The IUPAC name of 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol (CID 870018) is 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol?
The canonical SMILES for 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol is [H]/N=c1\sc2cc(C)ccc2n1CCO.
What is the InChIKey of 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol?
The InChIKey is ZYEGBHHNJNZJHT-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-2-3-8-9(6-7)14-10(11)12(8)4-5-13/h2-3,6,11,13H,4-5H2,1H3/b11-10-.
What are the key properties of 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol?
2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol has a molecular weight of 208.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)ethanol is sourced from PubChem (CID 870018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).