2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole

C14H9N5S — CID 155523015

IUPAC2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-16-17-18-19(13)14-15-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyAQMBBLUWBUTBKF-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.94
Rot. Bonds2

About 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole

2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole (PubChem CID 155523015) has the molecular formula C14H9N5S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole
PubChem CID155523015
Molecular FormulaC14H9N5S
Molecular Weight279.33 g/mol
Exact Mass279.06
IUPAC Name2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-16-17-18-19(13)14-15-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyAQMBBLUWBUTBKF-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole (CID 155523015) is 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole is c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole?
The InChIKey is AQMBBLUWBUTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S/c1-2-6-10(7-3-1)13-16-17-18-19(13)14-15-11-8-4-5-9-12(11)20-14/h1-9H.
What are the key properties of 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole?
2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole has a molecular weight of 279.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 155523015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).