6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole

C17H14N2S — CID 89191033

IUPAC6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole
SMILESC=C1c2cc(C)ccc2CN1c1ccc2ncsc2c1
InChIInChI=1S/C17H14N2S/c1-11-3-4-13-9-19(12(2)15(13)7-11)14-5-6-16-17(8-14)20-10-18-16/h3-8,10H,2,9H2,1H3
InChIKeyRLGXMINKFCYKSA-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.60
Rot. Bonds1

About 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole

6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole (PubChem CID 89191033) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole
PubChem CID89191033
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole
SMILESC=C1c2cc(C)ccc2CN1c1ccc2ncsc2c1
InChIInChI=1S/C17H14N2S/c1-11-3-4-13-9-19(12(2)15(13)7-11)14-5-6-16-17(8-14)20-10-18-16/h3-8,10H,2,9H2,1H3
InChIKeyRLGXMINKFCYKSA-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole?
The IUPAC name of 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole (CID 89191033) is 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole is C=C1c2cc(C)ccc2CN1c1ccc2ncsc2c1.
What is the InChIKey of 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole?
The InChIKey is RLGXMINKFCYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-11-3-4-13-9-19(12(2)15(13)7-11)14-5-6-16-17(8-14)20-10-18-16/h3-8,10H,2,9H2,1H3.
What are the key properties of 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole?
6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole has a molecular weight of 278.38 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 89191033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).