2-(2-methylfuran-3-yl)-1,3-benzothiazole

C12H9NOS — CID 3264944

IUPAC2-(2-methylfuran-3-yl)-1,3-benzothiazole
SMILESCc1occc1-c1nc2ccccc2s1
InChIInChI=1S/C12H9NOS/c1-8-9(6-7-14-8)12-13-10-4-2-3-5-11(10)15-12/h2-7H,1H3
InChIKeyUXSVKYXZIXGJIC-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.86
Rot. Bonds1

About 2-(2-methylfuran-3-yl)-1,3-benzothiazole

2-(2-methylfuran-3-yl)-1,3-benzothiazole (PubChem CID 3264944) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-1,3-benzothiazole
PubChem CID3264944
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name2-(2-methylfuran-3-yl)-1,3-benzothiazole
SMILESCc1occc1-c1nc2ccccc2s1
InChIInChI=1S/C12H9NOS/c1-8-9(6-7-14-8)12-13-10-4-2-3-5-11(10)15-12/h2-7H,1H3
InChIKeyUXSVKYXZIXGJIC-UHFFFAOYSA-N
XLogP3.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
CID 170680401
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2-(3-methyl-2-benzofuran-1-yl)-1,3-benzothiazole
CID 174795692
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
2-(1-benzofuran-6-yl)-1,3-benzothiazole
CID 123795055
6-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)pyrimidin-4-amine
CID 59683107
2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 40567723

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methylfuran-3-yl)-1,3-benzothiazole (CID 3264944) is 2-(2-methylfuran-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methylfuran-3-yl)-1,3-benzothiazole is Cc1occc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-1,3-benzothiazole?
The InChIKey is UXSVKYXZIXGJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-8-9(6-7-14-8)12-13-10-4-2-3-5-11(10)15-12/h2-7H,1H3.
What are the key properties of 2-(2-methylfuran-3-yl)-1,3-benzothiazole?
2-(2-methylfuran-3-yl)-1,3-benzothiazole has a molecular weight of 215.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 3264944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).