2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole

C16H11NOS — CID 174795692

IUPAC2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
SMILESCc1oc(-c2nc3ccccc3s2)c2ccccc12
InChIInChI=1S/C16H11NOS/c1-10-11-6-2-3-7-12(11)15(18-10)16-17-13-8-4-5-9-14(13)19-16/h2-9H,1H3
InChIKeyWDSCIGPFOWODFR-UHFFFAOYSA-N
MW265.34 g/mol
LogP5.02
Rot. Bonds1

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

2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole (PubChem CID 174795692) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
PubChem CID174795692
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
SMILESCc1oc(-c2nc3ccccc3s2)c2ccccc12
InChIInChI=1S/C16H11NOS/c1-10-11-6-2-3-7-12(11)15(18-10)16-17-13-8-4-5-9-14(13)19-16/h2-9H,1H3
InChIKeyWDSCIGPFOWODFR-UHFFFAOYSA-N
XLogP5.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
2-(2-methylfuran-3-yl)-1,3-benzothiazole
CID 3264944
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
4-(1,3-benzothiazol-2-yl)oxadiazole
CID 68714459
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
2-[2,6-bis(4-methylphenyl)phenyl]-1,3-benzothiazole
CID 102455086

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole (CID 174795692) is 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole is Cc1oc(-c2nc3ccccc3s2)c2ccccc12.
What is the InChIKey of 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole?
The InChIKey is WDSCIGPFOWODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c1-10-11-6-2-3-7-12(11)15(18-10)16-17-13-8-4-5-9-14(13)19-16/h2-9H,1H3.
What are the key properties of 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole?
2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 174795692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).