5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole

C10H15NS — CID 141096281

IUPAC5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole
SMILESCC1CC(C)(C)Cc2ncsc21
InChIInChI=1S/C10H15NS/c1-7-4-10(2,3)5-8-9(7)12-6-11-8/h6-7H,4-5H2,1-3H3
InChIKeyDXCJQWSRJRVQOY-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.22
Rot. Bonds

About 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole

5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole (PubChem CID 141096281) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole.

Molecular Properties

Compound Name5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole
PubChem CID141096281
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole
SMILESCC1CC(C)(C)Cc2ncsc21
InChIInChI=1S/C10H15NS/c1-7-4-10(2,3)5-8-9(7)12-6-11-8/h6-7H,4-5H2,1-3H3
InChIKeyDXCJQWSRJRVQOY-UHFFFAOYSA-N
XLogP3.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole?
The IUPAC name of 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole (CID 141096281) is 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole.
What is the SMILES notation for 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole?
The canonical SMILES for 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole is CC1CC(C)(C)Cc2ncsc21.
What is the InChIKey of 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole?
The InChIKey is DXCJQWSRJRVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7-4-10(2,3)5-8-9(7)12-6-11-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole?
5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole has a molecular weight of 181.30 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-6,7-dihydro-4H-1,3-benzothiazole is sourced from PubChem (CID 141096281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).