6-methyl-5,6-dihydro-1,3-benzothiazole

C8H9NS — CID 89474199

IUPAC6-methyl-5,6-dihydro-1,3-benzothiazole
SMILESCC1C=c2scnc2=CC1
InChIInChI=1S/C8H9NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-6H,2H2,1H3
InChIKeyITNZEMRDQGIPSR-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.74
Rot. Bonds

About 6-methyl-5,6-dihydro-1,3-benzothiazole

6-methyl-5,6-dihydro-1,3-benzothiazole (PubChem CID 89474199) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 6-methyl-5,6-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-5,6-dihydro-1,3-benzothiazole
PubChem CID89474199
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name6-methyl-5,6-dihydro-1,3-benzothiazole
SMILESCC1C=c2scnc2=CC1
InChIInChI=1S/C8H9NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-6H,2H2,1H3
InChIKeyITNZEMRDQGIPSR-UHFFFAOYSA-N
XLogP0.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6-dihydro-1,3-benzothiazole?
The IUPAC name of 6-methyl-5,6-dihydro-1,3-benzothiazole (CID 89474199) is 6-methyl-5,6-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-5,6-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-methyl-5,6-dihydro-1,3-benzothiazole is CC1C=c2scnc2=CC1.
What is the InChIKey of 6-methyl-5,6-dihydro-1,3-benzothiazole?
The InChIKey is ITNZEMRDQGIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-6H,2H2,1H3.
What are the key properties of 6-methyl-5,6-dihydro-1,3-benzothiazole?
6-methyl-5,6-dihydro-1,3-benzothiazole has a molecular weight of 151.23 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6-dihydro-1,3-benzothiazole is sourced from PubChem (CID 89474199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).