5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole

C10H7BrN4S — CID 19977110

IUPAC5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc2scc(Br)c2c1
InChIInChI=1S/C10H7BrN4S/c1-15-10(12-13-14-15)6-2-3-9-7(4-6)8(11)5-16-9/h2-5H,1H3
InChIKeyBZYCESHSIDTFJJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP2.85
Rot. Bonds1

About 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole

5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole (PubChem CID 19977110) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole
PubChem CID19977110
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccc2scc(Br)c2c1
InChIInChI=1S/C10H7BrN4S/c1-15-10(12-13-14-15)6-2-3-9-7(4-6)8(11)5-16-9/h2-5H,1H3
InChIKeyBZYCESHSIDTFJJ-UHFFFAOYSA-N
XLogP2.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole?
The IUPAC name of 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole (CID 19977110) is 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole?
The canonical SMILES for 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole is Cn1nnnc1-c1ccc2scc(Br)c2c1.
What is the InChIKey of 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole?
The InChIKey is BZYCESHSIDTFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c1-15-10(12-13-14-15)6-2-3-9-7(4-6)8(11)5-16-9/h2-5H,1H3.
What are the key properties of 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole?
5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole has a molecular weight of 295.17 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-1-benzothiophen-5-yl)-1-methyltetrazole is sourced from PubChem (CID 19977110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).