N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride

C10H17ClN2S — CID 3059958

IUPACN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
SMILESCNCC1CCc2nc(C)sc2C1.Cl
InChIInChI=1S/C10H16N2S.ClH/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7;/h8,11H,3-6H2,1-2H3;1H
InChIKeyAXHUDBMRULMFAF-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.20
Rot. Bonds2

About N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride (PubChem CID 3059958) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
PubChem CID3059958
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
SMILESCNCC1CCc2nc(C)sc2C1.Cl
InChIInChI=1S/C10H16N2S.ClH/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7;/h8,11H,3-6H2,1-2H3;1H
InChIKeyAXHUDBMRULMFAF-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride (CID 3059958) is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride is CNCC1CCc2nc(C)sc2C1.Cl.
What is the InChIKey of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The InChIKey is AXHUDBMRULMFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.ClH/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7;/h8,11H,3-6H2,1-2H3;1H.
What are the key properties of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride has a molecular weight of 232.78 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride is sourced from PubChem (CID 3059958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).