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

C9H14N2S — CID 3059957

IUPACN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
SMILESCNCC1CCc2scnc2C1
InChIInChI=1S/C9H14N2S/c1-10-5-7-2-3-9-8(4-7)11-6-12-9/h6-7,10H,2-5H2,1H3
InChIKeyQBOJNGZZIUUNRV-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.47
Rot. Bonds2

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

N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine (PubChem CID 3059957) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
PubChem CID3059957
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
SMILESCNCC1CCc2scnc2C1
InChIInChI=1S/C9H14N2S/c1-10-5-7-2-3-9-8(4-7)11-6-12-9/h6-7,10H,2-5H2,1H3
InChIKeyQBOJNGZZIUUNRV-UHFFFAOYSA-N
XLogP1.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine (CID 3059957) is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine is CNCC1CCc2scnc2C1.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine?
The InChIKey is QBOJNGZZIUUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-5-7-2-3-9-8(4-7)11-6-12-9/h6-7,10H,2-5H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine is sourced from PubChem (CID 3059957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).