2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine

C12H16N2OS — CID 82190144

IUPAC2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
SMILESCc1nc2c(OCC(C)(C)N)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-8-14-11-9(15-7-12(2,3)13)5-4-6-10(11)16-8/h4-6H,7,13H2,1-3H3
InChIKeyKNHPTLVCCZJPMO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine

2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine (PubChem CID 82190144) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
PubChem CID82190144
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
SMILESCc1nc2c(OCC(C)(C)N)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-8-14-11-9(15-7-12(2,3)13)5-4-6-10(11)16-8/h4-6H,7,13H2,1-3H3
InChIKeyKNHPTLVCCZJPMO-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile
CID 11390945
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
4-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 53421173
2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 119087334
N',N'-dimethyl-N-(2-methyl-1,3-benzothiazol-4-yl)ethane-1,2-diamine
CID 172864238
5-ethoxy-2,4-dimethyl-1,3-benzothiazole
CID 91405697
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
5-(2-amino-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 150808823
1-[(6-methoxy-2-pyridinyl)oxy]-2-methylpropan-2-amine
CID 64538391
2-[[2-(dimethylamino)-1,3-benzothiazol-4-yl]oxy]ethane-1,1-diamine;dihydrochloride
CID 68551844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine (CID 82190144) is 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine is Cc1nc2c(OCC(C)(C)N)cccc2s1.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
The InChIKey is KNHPTLVCCZJPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-14-11-9(15-7-12(2,3)13)5-4-6-10(11)16-8/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine?
2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine is sourced from PubChem (CID 82190144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).