1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine

C8H9N3OS — CID 82606279

IUPAC1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine
SMILESCONCc1ccc2nnsc2c1
InChIInChI=1S/C8H9N3OS/c1-12-9-5-6-2-3-7-8(4-6)13-11-10-7/h2-4,9H,5H2,1H3
InChIKeyPAKZVRVILPFODP-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.34
Rot. Bonds3

About 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine

1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine (PubChem CID 82606279) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine
PubChem CID82606279
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine
SMILESCONCc1ccc2nnsc2c1
InChIInChI=1S/C8H9N3OS/c1-12-9-5-6-2-3-7-8(4-6)13-11-10-7/h2-4,9H,5H2,1H3
InChIKeyPAKZVRVILPFODP-UHFFFAOYSA-N
XLogP1.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,2,3-benzothiadiazol-6-yl)propan-1-ol
CID 117284716
1-(2-tert-butyl-1,3-benzothiazol-5-yl)-N-methoxymethanamine
CID 117379784
1-(3-bromo-2H-indazol-5-yl)-N-methoxymethanamine
CID 117393227
1-[4-(2-fluoroethyl)phenyl]-N-methoxymethanamine
CID 117279581
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541
1-[3-bromo-4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 117419019
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
1-(3-bromo-4-pentan-3-ylphenyl)-N-methoxymethanamine
CID 117461462
O-(1,2,3-benzothiadiazol-5-ylmethyl)hydroxylamine
CID 117278658
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine?
The IUPAC name of 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine (CID 82606279) is 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine is CONCc1ccc2nnsc2c1.
What is the InChIKey of 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine?
The InChIKey is PAKZVRVILPFODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-12-9-5-6-2-3-7-8(4-6)13-11-10-7/h2-4,9H,5H2,1H3.
What are the key properties of 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine?
1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine has a molecular weight of 195.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3-benzothiadiazol-6-yl)-N-methoxymethanamine is sourced from PubChem (CID 82606279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).