5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole

C11H11NS — CID 2315985

IUPAC5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole
SMILESC=Cc1ccc2c(c1)N(C)C(=C)S2
InChIInChI=1S/C11H11NS/c1-4-9-5-6-11-10(7-9)12(3)8(2)13-11/h4-7H,1-2H2,3H3
InChIKeyZYQYCJWNGKBOGQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.34
Rot. Bonds1

About 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole

5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole (PubChem CID 2315985) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole
PubChem CID2315985
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole
SMILESC=Cc1ccc2c(c1)N(C)C(=C)S2
InChIInChI=1S/C11H11NS/c1-4-9-5-6-11-10(7-9)12(3)8(2)13-11/h4-7H,1-2H2,3H3
InChIKeyZYQYCJWNGKBOGQ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole?
The IUPAC name of 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole (CID 2315985) is 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole.
What is the SMILES notation for 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole?
The canonical SMILES for 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole is C=Cc1ccc2c(c1)N(C)C(=C)S2.
What is the InChIKey of 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole?
The InChIKey is ZYQYCJWNGKBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-4-9-5-6-11-10(7-9)12(3)8(2)13-11/h4-7H,1-2H2,3H3.
What are the key properties of 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole?
5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole has a molecular weight of 189.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-2-methylidene-1,3-benzothiazole is sourced from PubChem (CID 2315985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).