4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole

C18H17NOS — CID 142318793

IUPAC4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole
SMILESCC1=c2nc(-c3cc4c(C)cccc4o3)sc2=C(C)CC1
InChIInChI=1S/C18H17NOS/c1-10-5-4-6-14-13(10)9-15(20-14)18-19-16-11(2)7-8-12(3)17(16)21-18/h4-6,9H,7-8H2,1-3H3
InChIKeyFIMXQABVRCJICA-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.00
Rot. Bonds1

About 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole

4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole (PubChem CID 142318793) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole
PubChem CID142318793
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole
SMILESCC1=c2nc(-c3cc4c(C)cccc4o3)sc2=C(C)CC1
InChIInChI=1S/C18H17NOS/c1-10-5-4-6-14-13(10)9-15(20-14)18-19-16-11(2)7-8-12(3)17(16)21-18/h4-6,9H,7-8H2,1-3H3
InChIKeyFIMXQABVRCJICA-UHFFFAOYSA-N
XLogP4.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole?
The IUPAC name of 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole (CID 142318793) is 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole.
What is the SMILES notation for 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole?
The canonical SMILES for 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole is CC1=c2nc(-c3cc4c(C)cccc4o3)sc2=C(C)CC1.
What is the InChIKey of 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole?
The InChIKey is FIMXQABVRCJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-10-5-4-6-14-13(10)9-15(20-14)18-19-16-11(2)7-8-12(3)17(16)21-18/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole?
4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole has a molecular weight of 295.41 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole is sourced from PubChem (CID 142318793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).