6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane

C16H25NO2S — CID 178049165

IUPAC6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.CC.COc1cc(OC2CC2)cc2sc(C)nc12
InChIInChI=1S/C12H13NO2S.2C2H6/c1-7-13-12-10(14-2)5-9(6-11(12)16-7)15-8-3-4-8;2*1-2/h5-6,8H,3-4H2,1-2H3;2*1-2H3
InChIKeyISEPSYWJSHCLRT-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.21
Rot. Bonds3

About 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane

6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane (PubChem CID 178049165) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane
PubChem CID178049165
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.CC.COc1cc(OC2CC2)cc2sc(C)nc12
InChIInChI=1S/C12H13NO2S.2C2H6/c1-7-13-12-10(14-2)5-9(6-11(12)16-7)15-8-3-4-8;2*1-2/h5-6,8H,3-4H2,1-2H3;2*1-2H3
InChIKeyISEPSYWJSHCLRT-UHFFFAOYSA-N
XLogP5.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The IUPAC name of 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane (CID 178049165) is 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The canonical SMILES for 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane is CC.CC.COc1cc(OC2CC2)cc2sc(C)nc12.
What is the InChIKey of 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The InChIKey is ISEPSYWJSHCLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S.2C2H6/c1-7-13-12-10(14-2)5-9(6-11(12)16-7)15-8-3-4-8;2*1-2/h5-6,8H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane has a molecular weight of 295.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-4-methoxy-2-methyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).