2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine

C12H16N2OS — CID 84628462

IUPAC2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2sc(C(C)(C)CN)nc2c1
InChIInChI=1S/C12H16N2OS/c1-12(2,7-13)11-14-9-6-8(15-3)4-5-10(9)16-11/h4-6H,7,13H2,1-3H3
InChIKeyHZHLCSNWOUIFKS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.54
Rot. Bonds3

About 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine

2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (PubChem CID 84628462) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
PubChem CID84628462
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
SMILESCOc1ccc2sc(C(C)(C)CN)nc2c1
InChIInChI=1S/C12H16N2OS/c1-12(2,7-13)11-14-9-6-8(15-3)4-5-10(9)16-11/h4-6H,7,13H2,1-3H3
InChIKeyHZHLCSNWOUIFKS-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
1,1,1-trifluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 79798746
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219
(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
CID 82286426
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
2-amino-1-(5-methoxy-1,3-benzothiazol-2-yl)propan-1-ol
CID 82621598

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine (CID 84628462) is 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is COc1ccc2sc(C(C)(C)CN)nc2c1.
What is the InChIKey of 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is HZHLCSNWOUIFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,7-13)11-14-9-6-8(15-3)4-5-10(9)16-11/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine?
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 84628462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).