1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol

C9H13NOS — CID 46784941

IUPAC1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
SMILESCC(O)c1nc2c(s1)CCCC2
InChIInChI=1S/C9H13NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h6,11H,2-5H2,1H3
InChIKeyQXAGSESIEWFNOO-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.08
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol (PubChem CID 46784941) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
PubChem CID46784941
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
SMILESCC(O)c1nc2c(s1)CCCC2
InChIInChI=1S/C9H13NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h6,11H,2-5H2,1H3
InChIKeyQXAGSESIEWFNOO-UHFFFAOYSA-N
XLogP2.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 176218082
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CID 176718007
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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol (CID 46784941) is 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol is CC(O)c1nc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The InChIKey is QXAGSESIEWFNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h6,11H,2-5H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol has a molecular weight of 183.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol is sourced from PubChem (CID 46784941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).