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

C11H18N2S — CID 62941430

IUPACN-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCC1CCc2nc(NC)sc2C1
InChIInChI=1S/C11H18N2S/c1-3-4-8-5-6-9-10(7-8)14-11(12-2)13-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyIXXURXBBNKYOBV-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.09
Rot. Bonds3

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

N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 62941430) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID62941430
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCC1CCc2nc(NC)sc2C1
InChIInChI=1S/C11H18N2S/c1-3-4-8-5-6-9-10(7-8)14-11(12-2)13-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyIXXURXBBNKYOBV-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
3-acetamido-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 51101621
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone
CID 63526150
2-[methyl(methylsulfonyl)amino]-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 60610311
2-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CID 55026344
(2S,4S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120629236
6-ethyl-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62942724
(3S)-N-[(6R)-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]morpholine-3-carboxamide
CID 99699028
(2R,3S)-2-methyl-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)morpholine-3-carboxamide
CID 120929484
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 63526246
2-(methoxymethyl)-N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 60610265

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 62941430) is N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCCC1CCc2nc(NC)sc2C1.
What is the InChIKey of N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is IXXURXBBNKYOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-4-8-5-6-9-10(7-8)14-11(12-2)13-9/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62941430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).