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

C19H17NOS — CID 135196387

IUPAC2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2cc(-c3nc4c(C)ccc(C)c4s3)oc2c1
InChIInChI=1S/C19H17NOS/c1-10-7-13(4)14-9-16(21-15(14)8-10)19-20-17-11(2)5-6-12(3)18(17)22-19/h5-9H,1-4H3
InChIKeyZDHSIZOCXAEXCY-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.94
Rot. Bonds1

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

2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole (PubChem CID 135196387) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
PubChem CID135196387
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)c2cc(-c3nc4c(C)ccc(C)c4s3)oc2c1
InChIInChI=1S/C19H17NOS/c1-10-7-13(4)14-9-16(21-15(14)8-10)19-20-17-11(2)5-6-12(3)18(17)22-19/h5-9H,1-4H3
InChIKeyZDHSIZOCXAEXCY-UHFFFAOYSA-N
XLogP5.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-2-yl)-1,3-benzothiazol-4-ol
CID 145326341
2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
CID 135196378
2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 174276750
4-[[7-[(4-carboxycyclohexyl)methoxy]-2-(4,6-dimethyl-1-benzofuran-2-yl)-1,3-benzothiazol-4-yl]oxymethyl]cyclohexane-1-carboxylic acid
CID 129146584
2-(4,5-dichlorothiophen-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 146181567
4-O-[2-(4,6-dimethyl-1-benzofuran-2-yl)-7-[4-(4-hydroxyphenoxy)carbonylcyclohexanecarbonyl]oxy-1,3-benzothiazol-4-yl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 134463769
2-(4,6-dimethyl-1-benzofuran-2-yl)-1,3-benzothiazole-4,7-diol;1-O-[2-(4,6-dimethyl-1-benzofuran-2-yl)-7-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxy-1,3-benzothiazol-4-yl] 4-O-(1-prop-2-enoyloxypropan-2-yl) butanedioate;4-O-[2-(4,6-dimethyl-1-benzofuran-2-yl)-4-[4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoyl]oxy-1,3-benzothiazol-7-yl] 1-O-(2-prop-2-enoyloxypropyl) butanedioate;4-O-[2-(4,6-dimethyl-1-benzofuran-2-yl)-7-[4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoyl]oxy-1,3-benzothiazol-4-yl] 1-O-(2-prop-2-enoyloxypropyl) butanedioate;4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)butanoic acid;4-oxo-4-(2-prop-2-enoyloxypropoxy)butanoic acid
CID 157147589
(4,6-dimethyl-1-benzofuran-2-yl)methanamine
CID 65439776
4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole
CID 142318793
4,6-dimethyl-2-propyl-1-benzofuran
CID 146227493
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole (CID 135196387) is 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole is Cc1cc(C)c2cc(-c3nc4c(C)ccc(C)c4s3)oc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
The InChIKey is ZDHSIZOCXAEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-10-7-13(4)14-9-16(21-15(14)8-10)19-20-17-11(2)5-6-12(3)18(17)22-19/h5-9H,1-4H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole?
2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole has a molecular weight of 307.42 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 135196387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).