5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole

C10H11NS — CID 89109725

IUPAC5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole
SMILESCC1(C)C2C=c3ncsc3=CC21
InChIInChI=1S/C10H11NS/c1-10(2)6-3-8-9(4-7(6)10)12-5-11-8/h3-7H,1-2H3
InChIKeyIUGVNURKRVUIGA-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.99
Rot. Bonds

About 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole

5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole (PubChem CID 89109725) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole.

Molecular Properties

Compound Name5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole
PubChem CID89109725
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole
SMILESCC1(C)C2C=c3ncsc3=CC21
InChIInChI=1S/C10H11NS/c1-10(2)6-3-8-9(4-7(6)10)12-5-11-8/h3-7H,1-2H3
InChIKeyIUGVNURKRVUIGA-UHFFFAOYSA-N
XLogP0.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole?
The IUPAC name of 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole (CID 89109725) is 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole.
What is the SMILES notation for 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole?
The canonical SMILES for 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole is CC1(C)C2C=c3ncsc3=CC21.
What is the InChIKey of 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole?
The InChIKey is IUGVNURKRVUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-10(2)6-3-8-9(4-7(6)10)12-5-11-8/h3-7H,1-2H3.
What are the key properties of 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole?
5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole has a molecular weight of 177.27 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4a,5a-dihydrocyclopropa[f][1,3]benzothiazole is sourced from PubChem (CID 89109725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).