5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole

C13H13NS — CID 102481837

IUPAC5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(/C=C/C3CC3)ccc2s1
InChIInChI=1S/C13H13NS/c1-9-14-12-8-11(5-4-10-2-3-10)6-7-13(12)15-9/h4-8,10H,2-3H2,1H3/b5-4+
InChIKeyWVQYNCGOUOECNY-SNAWJCMRSA-N
MW215.32 g/mol
LogP4.03
Rot. Bonds2

About 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole

5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole (PubChem CID 102481837) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole
PubChem CID102481837
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(/C=C/C3CC3)ccc2s1
InChIInChI=1S/C13H13NS/c1-9-14-12-8-11(5-4-10-2-3-10)6-7-13(12)15-9/h4-8,10H,2-3H2,1H3/b5-4+
InChIKeyWVQYNCGOUOECNY-SNAWJCMRSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole (CID 102481837) is 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole is Cc1nc2cc(/C=C/C3CC3)ccc2s1.
What is the InChIKey of 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole?
The InChIKey is WVQYNCGOUOECNY-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H13NS/c1-9-14-12-8-11(5-4-10-2-3-10)6-7-13(12)15-9/h4-8,10H,2-3H2,1H3/b5-4+.
What are the key properties of 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole?
5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole has a molecular weight of 215.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 102481837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).