N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine

C13H18N2OS — CID 79146599

IUPACN-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOCC(C)CNc1nc2c(C)cccc2s1
InChIInChI=1S/C13H18N2OS/c1-9(8-16-3)7-14-13-15-12-10(2)5-4-6-11(12)17-13/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyZPUDBAGHNJQGLW-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.30
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine

N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79146599) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79146599
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCOCC(C)CNc1nc2c(C)cccc2s1
InChIInChI=1S/C13H18N2OS/c1-9(8-16-3)7-14-13-15-12-10(2)5-4-6-11(12)17-13/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyZPUDBAGHNJQGLW-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
4-methyl-N-(2-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113484222
N'-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106049330
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
4-methyl-N-[(4-methyloxan-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 104819782
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79146599) is N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine is COCC(C)CNc1nc2c(C)cccc2s1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ZPUDBAGHNJQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(8-16-3)7-14-13-15-12-10(2)5-4-6-11(12)17-13/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).