N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C11H18N2S — CID 64975639

IUPACN-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(C(C)C)nc21
InChIInChI=1S/C11H18N2S/c1-7(2)11-13-10-8(12-3)5-4-6-9(10)14-11/h7-8,12H,4-6H2,1-3H3
InChIKeyJHOLICGMKKJLPW-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.86
Rot. Bonds2

About N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975639) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975639
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(C(C)C)nc21
InChIInChI=1S/C11H18N2S/c1-7(2)11-13-10-8(12-3)5-4-6-9(10)14-11/h7-8,12H,4-6H2,1-3H3
InChIKeyJHOLICGMKKJLPW-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975636
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
2-N,4-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 112666371
2-N,4-N-dimethyl-2-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977023
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
2-N-(4-ethylcyclohexyl)-2-N,4-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977177
2-(4-tert-butylpiperidin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977286
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66060841
N-methyl-2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107920897
2-(2,5-dimethylthiophen-3-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976025
N-methyl-2-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975493
2-(4,4-dimethylazepan-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65286484

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975639) is N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(C(C)C)nc21.
What is the InChIKey of N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is JHOLICGMKKJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7(2)11-13-10-8(12-3)5-4-6-9(10)14-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 210.35 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-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).