6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane

C15H21NOS — CID 178049247

IUPAC6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.COc1cc(CC2CC2)cc2sc(C)nc12
InChIInChI=1S/C13H15NOS.C2H6/c1-8-14-13-11(15-2)6-10(5-9-3-4-9)7-12(13)16-8;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyNBWOWAKMNWBLMQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.59
Rot. Bonds3

About 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane

6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane (PubChem CID 178049247) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane
PubChem CID178049247
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane
SMILESCC.COc1cc(CC2CC2)cc2sc(C)nc12
InChIInChI=1S/C13H15NOS.C2H6/c1-8-14-13-11(15-2)6-10(5-9-3-4-9)7-12(13)16-8;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3
InChIKeyNBWOWAKMNWBLMQ-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The IUPAC name of 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane (CID 178049247) is 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The canonical SMILES for 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane is CC.COc1cc(CC2CC2)cc2sc(C)nc12.
What is the InChIKey of 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
The InChIKey is NBWOWAKMNWBLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.C2H6/c1-8-14-13-11(15-2)6-10(5-9-3-4-9)7-12(13)16-8;1-2/h6-7,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane?
6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane has a molecular weight of 263.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-4-methoxy-2-methyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 178049247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).