3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine

C14H11N7S — CID 121268892

IUPAC3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESNc1ccc2sc(-c3cc(-c4nn[nH]n4)cnc3N)cc2c1
InChIInChI=1S/C14H11N7S/c15-9-1-2-11-7(3-9)5-12(22-11)10-4-8(6-17-13(10)16)14-18-20-21-19-14/h1-6H,15H2,(H2,16,17)(H,18,19,20,21)
InChIKeyTXHRZFOZYPADAG-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.31
Rot. Bonds2

About 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine

3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine (PubChem CID 121268892) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine
PubChem CID121268892
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine
SMILESNc1ccc2sc(-c3cc(-c4nn[nH]n4)cnc3N)cc2c1
InChIInChI=1S/C14H11N7S/c15-9-1-2-11-7(3-9)5-12(22-11)10-4-8(6-17-13(10)16)14-18-20-21-19-14/h1-6H,15H2,(H2,16,17)(H,18,19,20,21)
InChIKeyTXHRZFOZYPADAG-UHFFFAOYSA-N
XLogP2.31
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine?
The IUPAC name of 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine (CID 121268892) is 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine is Nc1ccc2sc(-c3cc(-c4nn[nH]n4)cnc3N)cc2c1.
What is the InChIKey of 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine?
The InChIKey is TXHRZFOZYPADAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c15-9-1-2-11-7(3-9)5-12(22-11)10-4-8(6-17-13(10)16)14-18-20-21-19-14/h1-6H,15H2,(H2,16,17)(H,18,19,20,21).
What are the key properties of 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine?
3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine has a molecular weight of 309.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 121268892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).