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

C9H10N2OS — CID 11030683

IUPAC2-(2-imino-1,3-benzothiazol-3-yl)ethanol
SMILES[H]/N=c1\sc2ccccc2n1CCO
InChIInChI=1S/C9H10N2OS/c10-9-11(5-6-12)7-3-1-2-4-8(7)13-9/h1-4,10,12H,5-6H2/b10-9-
InChIKeyGYCSOQLDJSTRSC-KTKRTIGZSA-N
MW194.26 g/mol
LogP1.17
Rot. Bonds2

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

2-(2-imino-1,3-benzothiazol-3-yl)ethanol (PubChem CID 11030683) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(2-imino-1,3-benzothiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-imino-1,3-benzothiazol-3-yl)ethanol
PubChem CID11030683
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-(2-imino-1,3-benzothiazol-3-yl)ethanol
SMILES[H]/N=c1\sc2ccccc2n1CCO
InChIInChI=1S/C9H10N2OS/c10-9-11(5-6-12)7-3-1-2-4-8(7)13-9/h1-4,10,12H,5-6H2/b10-9-
InChIKeyGYCSOQLDJSTRSC-KTKRTIGZSA-N
XLogP1.17
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-benzothiazol-3-yl)ethanol?
The IUPAC name of 2-(2-imino-1,3-benzothiazol-3-yl)ethanol (CID 11030683) is 2-(2-imino-1,3-benzothiazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-imino-1,3-benzothiazol-3-yl)ethanol?
The canonical SMILES for 2-(2-imino-1,3-benzothiazol-3-yl)ethanol is [H]/N=c1\sc2ccccc2n1CCO.
What is the InChIKey of 2-(2-imino-1,3-benzothiazol-3-yl)ethanol?
The InChIKey is GYCSOQLDJSTRSC-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-9-11(5-6-12)7-3-1-2-4-8(7)13-9/h1-4,10,12H,5-6H2/b10-9-.
What are the key properties of 2-(2-imino-1,3-benzothiazol-3-yl)ethanol?
2-(2-imino-1,3-benzothiazol-3-yl)ethanol has a molecular weight of 194.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-benzothiazol-3-yl)ethanol is sourced from PubChem (CID 11030683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).