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

C10H16N2S — CID 3059959

IUPACN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
SMILESCNCC1CCc2nc(C)sc2C1
InChIInChI=1S/C10H16N2S/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7/h8,11H,3-6H2,1-2H3
InChIKeyRPJDREGXHFGIBJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.78
Rot. Bonds2

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

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine (PubChem CID 3059959) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
PubChem CID3059959
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
SMILESCNCC1CCc2nc(C)sc2C1
InChIInChI=1S/C10H16N2S/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7/h8,11H,3-6H2,1-2H3
InChIKeyRPJDREGXHFGIBJ-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.78
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?
The IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine (CID 3059959) is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine is CNCC1CCc2nc(C)sc2C1.
What is the InChIKey of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine?
The InChIKey is RPJDREGXHFGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-12-9-4-3-8(6-11-2)5-10(9)13-7/h8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine?
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine has a molecular weight of 196.32 g/mol, XLogP of 1.78, 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 is sourced from PubChem (CID 3059959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).