2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol

C12H16N2OS — CID 84699598

IUPAC2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
SMILESCC(C)c1nc2cc(C(N)CO)ccc2s1
InChIInChI=1S/C12H16N2OS/c1-7(2)12-14-10-5-8(9(13)6-15)3-4-11(10)16-12/h3-5,7,9,15H,6,13H2,1-2H3
InChIKeyVRJLHDYGIDUBQQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol

2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol (PubChem CID 84699598) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
PubChem CID84699598
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol
SMILESCC(C)c1nc2cc(C(N)CO)ccc2s1
InChIInChI=1S/C12H16N2OS/c1-7(2)12-14-10-5-8(9(13)6-15)3-4-11(10)16-12/h3-5,7,9,15H,6,13H2,1-2H3
InChIKeyVRJLHDYGIDUBQQ-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

3-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)propanoic acid
CID 117415560
N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
CID 82501389
methyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)acetate
CID 117417547
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
5-(2-methylpropyl)-2-propan-2-yl-1,3-benzothiazole
CID 134533017
2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 81079007
4-amino-4-(2-methyl-1,3-benzothiazol-5-yl)butanoic acid
CID 117379404
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
2-amino-2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895795
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117399668
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 43185909
3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoic acid
CID 18427339

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol (CID 84699598) is 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol is CC(C)c1nc2cc(C(N)CO)ccc2s1.
What is the InChIKey of 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol?
The InChIKey is VRJLHDYGIDUBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7(2)12-14-10-5-8(9(13)6-15)3-4-11(10)16-12/h3-5,7,9,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol?
2-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-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-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethanol is sourced from PubChem (CID 84699598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).