5-(1-methylindazol-5-yl)-1,3-benzothiazole

C15H11N3S — CID 59283010

IUPAC5-(1-methylindazol-5-yl)-1,3-benzothiazole
SMILESCn1ncc2cc(-c3ccc4scnc4c3)ccc21
InChIInChI=1S/C15H11N3S/c1-18-14-4-2-10(6-12(14)8-17-18)11-3-5-15-13(7-11)16-9-19-15/h2-9H,1H3
InChIKeyPVYIIIMENAOLJA-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.85
Rot. Bonds1

About 5-(1-methylindazol-5-yl)-1,3-benzothiazole

5-(1-methylindazol-5-yl)-1,3-benzothiazole (PubChem CID 59283010) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-(1-methylindazol-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(1-methylindazol-5-yl)-1,3-benzothiazole
PubChem CID59283010
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name5-(1-methylindazol-5-yl)-1,3-benzothiazole
SMILESCn1ncc2cc(-c3ccc4scnc4c3)ccc21
InChIInChI=1S/C15H11N3S/c1-18-14-4-2-10(6-12(14)8-17-18)11-3-5-15-13(7-11)16-9-19-15/h2-9H,1H3
InChIKeyPVYIIIMENAOLJA-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-5-yl)-1,3-benzothiazole?
The IUPAC name of 5-(1-methylindazol-5-yl)-1,3-benzothiazole (CID 59283010) is 5-(1-methylindazol-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(1-methylindazol-5-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(1-methylindazol-5-yl)-1,3-benzothiazole is Cn1ncc2cc(-c3ccc4scnc4c3)ccc21.
What is the InChIKey of 5-(1-methylindazol-5-yl)-1,3-benzothiazole?
The InChIKey is PVYIIIMENAOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-18-14-4-2-10(6-12(14)8-17-18)11-3-5-15-13(7-11)16-9-19-15/h2-9H,1H3.
What are the key properties of 5-(1-methylindazol-5-yl)-1,3-benzothiazole?
5-(1-methylindazol-5-yl)-1,3-benzothiazole has a molecular weight of 265.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 59283010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).