2-methylidene-6-propyl-3H-1,3-benzothiazole

C11H13NS — CID 155132421

IUPAC2-methylidene-6-propyl-3H-1,3-benzothiazole
SMILESC=C1Nc2ccc(CCC)cc2S1
InChIInChI=1S/C11H13NS/c1-3-4-9-5-6-10-11(7-9)13-8(2)12-10/h5-7,12H,2-4H2,1H3
InChIKeyADKSVAKPDTWRNB-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.63
Rot. Bonds2

About 2-methylidene-6-propyl-3H-1,3-benzothiazole

2-methylidene-6-propyl-3H-1,3-benzothiazole (PubChem CID 155132421) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methylidene-6-propyl-3H-1,3-benzothiazole.

Molecular Properties

Compound Name2-methylidene-6-propyl-3H-1,3-benzothiazole
PubChem CID155132421
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-methylidene-6-propyl-3H-1,3-benzothiazole
SMILESC=C1Nc2ccc(CCC)cc2S1
InChIInChI=1S/C11H13NS/c1-3-4-9-5-6-10-11(7-9)13-8(2)12-10/h5-7,12H,2-4H2,1H3
InChIKeyADKSVAKPDTWRNB-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-propyl-3H-1,3-benzothiazole?
The IUPAC name of 2-methylidene-6-propyl-3H-1,3-benzothiazole (CID 155132421) is 2-methylidene-6-propyl-3H-1,3-benzothiazole.
What is the SMILES notation for 2-methylidene-6-propyl-3H-1,3-benzothiazole?
The canonical SMILES for 2-methylidene-6-propyl-3H-1,3-benzothiazole is C=C1Nc2ccc(CCC)cc2S1.
What is the InChIKey of 2-methylidene-6-propyl-3H-1,3-benzothiazole?
The InChIKey is ADKSVAKPDTWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-3-4-9-5-6-10-11(7-9)13-8(2)12-10/h5-7,12H,2-4H2,1H3.
What are the key properties of 2-methylidene-6-propyl-3H-1,3-benzothiazole?
2-methylidene-6-propyl-3H-1,3-benzothiazole has a molecular weight of 191.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-propyl-3H-1,3-benzothiazole is sourced from PubChem (CID 155132421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).