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

C16H13NOS — CID 155911185

IUPAC5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(-c3ccc4c(c3)OCC4)ccc2s1
InChIInChI=1S/C16H13NOS/c1-10-17-14-8-12(4-5-16(14)19-10)13-3-2-11-6-7-18-15(11)9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyOFHHETUBAYFZEB-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.21
Rot. Bonds1

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

5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole (PubChem CID 155911185) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
PubChem CID155911185
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(-c3ccc4c(c3)OCC4)ccc2s1
InChIInChI=1S/C16H13NOS/c1-10-17-14-8-12(4-5-16(14)19-10)13-3-2-11-6-7-18-15(11)9-13/h2-5,8-9H,6-7H2,1H3
InChIKeyOFHHETUBAYFZEB-UHFFFAOYSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine
CID 170741854
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
4-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 155915225
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
CID 58740446

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole (CID 155911185) is 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole is Cc1nc2cc(-c3ccc4c(c3)OCC4)ccc2s1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole?
The InChIKey is OFHHETUBAYFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-10-17-14-8-12(4-5-16(14)19-10)13-3-2-11-6-7-18-15(11)9-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole?
5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole has a molecular weight of 267.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 155911185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).