6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine

C8H10N2S — CID 89004071

IUPAC6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
SMILESCC1C=Cc2nc(N)sc2C1
InChIInChI=1S/C8H10N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10)
InChIKeyYXULSIBUPJFARV-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.93
Rot. Bonds

About 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine

6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine (PubChem CID 89004071) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
PubChem CID89004071
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
SMILESCC1C=Cc2nc(N)sc2C1
InChIInChI=1S/C8H10N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10)
InChIKeyYXULSIBUPJFARV-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine (CID 89004071) is 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine is CC1C=Cc2nc(N)sc2C1.
What is the InChIKey of 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is YXULSIBUPJFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-3,5H,4H2,1H3,(H2,9,10).
What are the key properties of 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine?
6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 166.25 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89004071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).