6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole

C15H11N3S — CID 171981650

IUPAC6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18)
InChIKeyUAXZKDORPCLTNW-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.15
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole

6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole (PubChem CID 171981650) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
PubChem CID171981650
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1
InChIInChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18)
InChIKeyUAXZKDORPCLTNW-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole (CID 171981650) is 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole is Cc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
The InChIKey is UAXZKDORPCLTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-9-16-13-7-6-10(8-14(13)19-9)15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H,17,18).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole?
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 171981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).