2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol

C12H16N2OS — CID 83897316

IUPAC2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol
SMILESCC(C)c1nc2cccc(C(O)CN)c2s1
InChIInChI=1S/C12H16N2OS/c1-7(2)12-14-9-5-3-4-8(10(15)6-13)11(9)16-12/h3-5,7,10,15H,6,13H2,1-2H3
InChIKeyIHKXVWDMLGQLQM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol

2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol (PubChem CID 83897316) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol
PubChem CID83897316
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol
SMILESCC(C)c1nc2cccc(C(O)CN)c2s1
InChIInChI=1S/C12H16N2OS/c1-7(2)12-14-9-5-3-4-8(10(15)6-13)11(9)16-12/h3-5,7,10,15H,6,13H2,1-2H3
InChIKeyIHKXVWDMLGQLQM-UHFFFAOYSA-N
XLogP2.41
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
N-(2-methoxyethyl)-N-methyl-2-propan-2-yl-1,3-benzothiazol-7-amine
CID 171441127
2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
1-(7-chloro-1,3-benzothiazol-2-yl)ethanol
CID 79872379
1-amino-1-(7-chloro-1,3-benzothiazol-2-yl)propan-2-ol
CID 43306322
6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole
CID 59800707
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(7-fluoro-1,3-benzothiazol-2-yl)ethanamine
CID 45077196
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
CID 65220936
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]butanoic acid
CID 82190179

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol?
The IUPAC name of 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol (CID 83897316) is 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol is CC(C)c1nc2cccc(C(O)CN)c2s1.
What is the InChIKey of 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol?
The InChIKey is IHKXVWDMLGQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7(2)12-14-9-5-3-4-8(10(15)6-13)11(9)16-12/h3-5,7,10,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol?
2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol has a molecular weight of 236.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yl-1,3-benzothiazol-7-yl)ethanol is sourced from PubChem (CID 83897316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).