3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

C16H10N6S — CID 22480051

IUPAC3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2sc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1
InChIInChI=1S/C16H10N6S/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22)
InChIKeyIENYEJJUFCMJNM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.62
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22480051) has the molecular formula C16H10N6S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22480051
Molecular FormulaC16H10N6S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2sc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1
InChIInChI=1S/C16H10N6S/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22)
InChIKeyIENYEJJUFCMJNM-UHFFFAOYSA-N
XLogP3.62
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)-1H-indazole
CID 9795679
3-(1-benzothiophen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 20789082
3-(5-(2H-1,2,3,4-Tetrazol-5-Yl)-1H-Indazol-3-Yl)Thiophene
CID 22479797
5-[3-(2-Phenylethyl)-1H-Indazol-5-Yl]-2H-1,2,3,4-Tetrazole
CID 22479919
3-(2-phenylethynyl)-5-(2H-tetrazol-5-yl)-2H-indazole
CID 22479955
3-(5-(2H-1,2,3,4-tetrazol-5-yl)-1H-indazole-3-yl)phenylamine
CID 22480000
3-[(E)-2-phenylethenyl]-5-(2H-tetrazol-5-yl)-1H-indazole
CID 22480024
5-(2H-tetrazol-5-yl)-3-thiophen-2-yl-1H-indazole
CID 22480242
3-(1-benzothiophen-2-yl)-1H-pyrazol-5-amine
CID 61406881
3-(2-Thienyl)indazole
CID 11052643
2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole
CID 11197659
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine
CID 22260709

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22480051) is 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is c1ccc2sc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is IENYEJJUFCMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 318.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22480051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).