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

C8H13N3S — CID 83876323

IUPACN-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine
SMILESCNCC1CCCc2nnsc21
InChIInChI=1S/C8H13N3S/c1-9-5-6-3-2-4-7-8(6)12-11-10-7/h6,9H,2-5H2,1H3
InChIKeyUBJZBSOVHQERGK-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.18
Rot. Bonds2

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

N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine (PubChem CID 83876323) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine
PubChem CID83876323
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine
SMILESCNCC1CCCc2nnsc21
InChIInChI=1S/C8H13N3S/c1-9-5-6-3-2-4-7-8(6)12-11-10-7/h6,9H,2-5H2,1H3
InChIKeyUBJZBSOVHQERGK-UHFFFAOYSA-N
XLogP1.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-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

Related Compounds

4-Piperidin-4-yl-5-propylthiadiazole
CID 20613883
2-(4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-6-yl)ethanamine
CID 82406949
4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-5-ylmethanamine
CID 82412686
4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-6-ylmethanamine
CID 82412687
4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-4-ylmethanamine
CID 83873942
4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-7-ylmethanamine
CID 83873946
N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-yl)methanamine
CID 83876321
2-(4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-4-yl)ethanamine
CID 83876322
2-(4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-7-yl)ethanamine
CID 83876324
3-Thia-4,5,10-triazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene
CID 84658168
4-Methyl-5-pyrrolidin-3-ylthiadiazole
CID 129983694
4-Methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole
CID 130600636

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine (CID 83876323) is N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine is CNCC1CCCc2nnsc21.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine?
The InChIKey is UBJZBSOVHQERGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-9-5-6-3-2-4-7-8(6)12-11-10-7/h6,9H,2-5H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-yl)methanamine is sourced from PubChem (CID 83876323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).