4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane

C13H17NS — CID 178049216

IUPAC4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane
SMILESCC.Cc1nc2c(C3CC3)cccc2s1
InChIInChI=1S/C11H11NS.C2H6/c1-7-12-11-9(8-5-6-8)3-2-4-10(11)13-7;1-2/h2-4,8H,5-6H2,1H3;1-2H3
InChIKeyAMHWWGFBZASCDQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.51
Rot. Bonds1

About 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane

4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane (PubChem CID 178049216) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane
PubChem CID178049216
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane
SMILESCC.Cc1nc2c(C3CC3)cccc2s1
InChIInChI=1S/C11H11NS.C2H6/c1-7-12-11-9(8-5-6-8)3-2-4-10(11)13-7;1-2/h2-4,8H,5-6H2,1H3;1-2H3
InChIKeyAMHWWGFBZASCDQ-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane?
The IUPAC name of 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane (CID 178049216) is 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane?
The canonical SMILES for 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane is CC.Cc1nc2c(C3CC3)cccc2s1.
What is the InChIKey of 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane?
The InChIKey is AMHWWGFBZASCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-7-12-11-9(8-5-6-8)3-2-4-10(11)13-7;1-2/h2-4,8H,5-6H2,1H3;1-2H3.
What are the key properties of 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane?
4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane has a molecular weight of 219.35 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).