N-methyl-2,1-benzothiazol-3-amine

C8H8N2S — CID 16984

IUPACN-methyl-2,1-benzothiazol-3-amine
SMILESCNc1snc2ccccc12
InChIInChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3
InChIKeyARUJVDNZYGIUGB-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.34
Rot. Bonds1

About N-methyl-2,1-benzothiazol-3-amine

N-methyl-2,1-benzothiazol-3-amine (PubChem CID 16984) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-methyl-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-2,1-benzothiazol-3-amine
PubChem CID16984
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-methyl-2,1-benzothiazol-3-amine
SMILESCNc1snc2ccccc12
InChIInChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3
InChIKeyARUJVDNZYGIUGB-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,1-benzothiazol-3-amine?
The IUPAC name of N-methyl-2,1-benzothiazol-3-amine (CID 16984) is N-methyl-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-2,1-benzothiazol-3-amine?
The canonical SMILES for N-methyl-2,1-benzothiazol-3-amine is CNc1snc2ccccc12.
What is the InChIKey of N-methyl-2,1-benzothiazol-3-amine?
The InChIKey is ARUJVDNZYGIUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3.
What are the key properties of N-methyl-2,1-benzothiazol-3-amine?
N-methyl-2,1-benzothiazol-3-amine has a molecular weight of 164.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,1-benzothiazol-3-amine is sourced from PubChem (CID 16984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).