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

C9H10N2S — CID 12614603

IUPACN,N-dimethyl-1,2-benzothiazol-6-amine
SMILESCN(C)c1ccc2cnsc2c1
InChIInChI=1S/C9H10N2S/c1-11(2)8-4-3-7-6-10-12-9(7)5-8/h3-6H,1-2H3
InChIKeyNSTCPYIQURDCLA-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.36
Rot. Bonds1

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

N,N-dimethyl-1,2-benzothiazol-6-amine (PubChem CID 12614603) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N,N-dimethyl-1,2-benzothiazol-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,2-benzothiazol-6-amine
PubChem CID12614603
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC NameN,N-dimethyl-1,2-benzothiazol-6-amine
SMILESCN(C)c1ccc2cnsc2c1
InChIInChI=1S/C9H10N2S/c1-11(2)8-4-3-7-6-10-12-9(7)5-8/h3-6H,1-2H3
InChIKeyNSTCPYIQURDCLA-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2-benzothiazol-6-amine?
The IUPAC name of N,N-dimethyl-1,2-benzothiazol-6-amine (CID 12614603) is N,N-dimethyl-1,2-benzothiazol-6-amine.
What is the SMILES notation for N,N-dimethyl-1,2-benzothiazol-6-amine?
The canonical SMILES for N,N-dimethyl-1,2-benzothiazol-6-amine is CN(C)c1ccc2cnsc2c1.
What is the InChIKey of N,N-dimethyl-1,2-benzothiazol-6-amine?
The InChIKey is NSTCPYIQURDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-11(2)8-4-3-7-6-10-12-9(7)5-8/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-1,2-benzothiazol-6-amine?
N,N-dimethyl-1,2-benzothiazol-6-amine has a molecular weight of 178.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2-benzothiazol-6-amine is sourced from PubChem (CID 12614603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).