5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole

C9H9NS — CID 145305389

IUPAC5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole
SMILESCC1C2C=c3ncsc3=CC12
InChIInChI=1S/C9H9NS/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3
InChIKeyLHCXBVICJXJQBZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.60
Rot. Bonds

About 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole

5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole (PubChem CID 145305389) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole.

Molecular Properties

Compound Name5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole
PubChem CID145305389
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole
SMILESCC1C2C=c3ncsc3=CC12
InChIInChI=1S/C9H9NS/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3
InChIKeyLHCXBVICJXJQBZ-UHFFFAOYSA-N
XLogP0.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole?
The IUPAC name of 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole (CID 145305389) is 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole.
What is the SMILES notation for 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole?
The canonical SMILES for 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole is CC1C2C=c3ncsc3=CC12.
What is the InChIKey of 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole?
The InChIKey is LHCXBVICJXJQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-5-6-2-8-9(3-7(5)6)11-4-10-8/h2-7H,1H3.
What are the key properties of 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole?
5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole has a molecular weight of 163.24 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,5a-dihydro-4aH-cyclopropa[f][1,3]benzothiazole is sourced from PubChem (CID 145305389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).