2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine

C11H14N2OS — CID 81079007

IUPAC2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2cc(C)ccc2s1
InChIInChI=1S/C11H14N2OS/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3
InChIKeyXZUKQIQUNIBTTO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.25
Rot. Bonds3

About 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine

2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 81079007) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
PubChem CID81079007
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine
SMILESCOCC(N)c1nc2cc(C)ccc2s1
InChIInChI=1S/C11H14N2OS/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3
InChIKeyXZUKQIQUNIBTTO-UHFFFAOYSA-N
XLogP2.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzothiazolemethanamine
CID 350414
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
Benzothiazole, 2,5-dimethyl-
CID 7227
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
CID 735970
6-Fluoro-alpha-methyl-2-benzothiazolemethanamine
CID 10313528
2-(4'-Methylaminophenyl)benzothiazole
CID 9837643
N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide
CID 774490
4-(5-Methyl-1,3-benzothiazol-2-yl)aniline
CID 4568697
N-(3-methylphenyl)-1,3-benzothiazole-2-carbothioamide
CID 886487
Upujutoigkmzba-uhfffaoysa-
CID 170900
alpha-Phenyl-2-benzothiazolemethanamine
CID 13342005
2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 7131993

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine (CID 81079007) is 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine is COCC(N)c1nc2cc(C)ccc2s1.
What is the InChIKey of 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is XZUKQIQUNIBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-3-4-10-9(5-7)13-11(15-10)8(12)6-14-2/h3-5,8H,6,12H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine?
2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 81079007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).