N-methyl-1,2-benzothiazol-6-amine

C8H8N2S — CID 121231868

IUPACN-methyl-1,2-benzothiazol-6-amine
SMILESCNc1ccc2cnsc2c1
InChIInChI=1S/C8H8N2S/c1-9-7-3-2-6-5-10-11-8(6)4-7/h2-5,9H,1H3
InChIKeyNIILEHPXPMUSSF-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.34
Rot. Bonds1

About N-methyl-1,2-benzothiazol-6-amine

N-methyl-1,2-benzothiazol-6-amine (PubChem CID 121231868) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-methyl-1,2-benzothiazol-6-amine.

Molecular Properties

Compound NameN-methyl-1,2-benzothiazol-6-amine
PubChem CID121231868
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC NameN-methyl-1,2-benzothiazol-6-amine
SMILESCNc1ccc2cnsc2c1
InChIInChI=1S/C8H8N2S/c1-9-7-3-2-6-5-10-11-8(6)4-7/h2-5,9H,1H3
InChIKeyNIILEHPXPMUSSF-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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Related Compounds

1,2-Benzisothiazol-5-amine
CID 198293
N,N-Dimethyl-1,2-benzisothiazol-6-amine
CID 12614603
1-(1,2-Benzothiazol-6-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70645052
tert-butyl N-(7-fluoro-1,2-benzothiazol-6-yl)carbamate
CID 166539675
7-Fluorobenzo[d]isothiazol-6-amine
CID 166540101
7-fluoro-N-methyl-1,2-benzothiazol-6-amine
CID 167245097
4-(1,2-benzothiazol-3-yl)-N-methylaniline
CID 12555106
N,N-diethyl-1,2-benzothiazol-6-amine
CID 12614604
Benzenamine, 4-(1,2-benzisothiazol-6-ylazo)-N,N-dimethyl-
CID 187285
N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
CID 154866245
4-(2-fluoroethyl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]aniline
CID 167952080
5-Fluoro-1,2-benzothiazol-6-amine
CID 177793109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2-benzothiazol-6-amine?
The IUPAC name of N-methyl-1,2-benzothiazol-6-amine (CID 121231868) is N-methyl-1,2-benzothiazol-6-amine.
What is the SMILES notation for N-methyl-1,2-benzothiazol-6-amine?
The canonical SMILES for N-methyl-1,2-benzothiazol-6-amine is CNc1ccc2cnsc2c1.
What is the InChIKey of N-methyl-1,2-benzothiazol-6-amine?
The InChIKey is NIILEHPXPMUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-9-7-3-2-6-5-10-11-8(6)4-7/h2-5,9H,1H3.
What are the key properties of N-methyl-1,2-benzothiazol-6-amine?
N-methyl-1,2-benzothiazol-6-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-1,2-benzothiazol-6-amine is sourced from PubChem (CID 121231868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).