N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C12H18N2S — CID 65422382

IUPACN-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3CC3C)sc21
InChIInChI=1S/C12H18N2S/c1-7-6-8(7)12-14-10-5-3-4-9(13-2)11(10)15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyWBEPHBYWKZGUAV-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.86
Rot. Bonds2

About N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 65422382) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID65422382
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3CC3C)sc21
InChIInChI=1S/C12H18N2S/c1-7-6-8(7)12-14-10-5-3-4-9(13-2)11(10)15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyWBEPHBYWKZGUAV-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62386843
2-(3-ethylcyclopentyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403634
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083
2-(3,3-dimethylbutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 114211917
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 81469907
2-N,7-N-dimethyl-2-N-(2-methylsulfanylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 112666317
N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079681
2-N,7-N-dimethyl-2-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62750253
N-methyl-2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65128529
2-(4-tert-butylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078597

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 65422382) is N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(C3CC3C)sc21.
What is the InChIKey of N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WBEPHBYWKZGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-7-6-8(7)12-14-10-5-3-4-9(13-2)11(10)15-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 222.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 65422382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).