6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

C9H11N3S — CID 17244961

IUPAC6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
SMILESCN(C)c1ccc2nc(N)sc2c1
InChIInChI=1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyDCUFLOLNQPJBDW-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.94
Rot. Bonds1

About 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine

6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine (PubChem CID 17244961) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
PubChem CID17244961
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
SMILESCN(C)c1ccc2nc(N)sc2c1
InChIInChI=1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11)
InChIKeyDCUFLOLNQPJBDW-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine
CID 156811688
[3-(dimethylamino)phenyl] 2-amino-1,3-benzothiazole-6-sulfonate
CID 21455596
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
3,7-bis(dimethylamino)phenothiazin-1-one
CID 101450348
CID 158604119
CID 158604119
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine (CID 17244961) is 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine is CN(C)c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is DCUFLOLNQPJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine?
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 193.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 17244961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).