2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol

C11H13NOS — CID 117296528

IUPAC2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2ncsc2c1
InChIInChI=1S/C11H13NOS/c1-11(2,6-13)8-3-4-9-10(5-8)14-7-12-9/h3-5,7,13H,6H2,1-2H3
InChIKeyZEPIRMZASGFNPX-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.57
Rot. Bonds2

About 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol

2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol (PubChem CID 117296528) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
PubChem CID117296528
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2ncsc2c1
InChIInChI=1S/C11H13NOS/c1-11(2,6-13)8-3-4-9-10(5-8)14-7-12-9/h3-5,7,13H,6H2,1-2H3
InChIKeyZEPIRMZASGFNPX-UHFFFAOYSA-N
XLogP2.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane
CID 141398892
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
1-(1,3-benzothiazol-6-yloxy)propan-2-ol
CID 82189802
6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole
CID 143099494
N,N-diethyl-1,3-benzothiazol-6-amine
CID 12675901

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol (CID 117296528) is 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc2ncsc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol?
The InChIKey is ZEPIRMZASGFNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(2,6-13)8-3-4-9-10(5-8)14-7-12-9/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol?
2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol has a molecular weight of 207.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117296528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).