4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline

C20H14N6OS — CID 44580059

IUPAC4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline
SMILESNc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H14N6OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,21H2,(H,23,24,25,26)
InChIKeyGIGAGIKYXUSDHJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.52
Rot. Bonds4

About 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline

4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline (PubChem CID 44580059) has the molecular formula C20H14N6OS and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline.

Molecular Properties

Compound Name4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline
PubChem CID44580059
Molecular FormulaC20H14N6OS
Molecular Weight386.44 g/mol
Exact Mass386.09
IUPAC Name4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline
SMILESNc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H14N6OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,21H2,(H,23,24,25,26)
InChIKeyGIGAGIKYXUSDHJ-UHFFFAOYSA-N
XLogP4.52
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
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 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline?
The IUPAC name of 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline (CID 44580059) is 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline.
What is the SMILES notation for 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline?
The canonical SMILES for 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline is Nc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1.
What is the InChIKey of 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline?
The InChIKey is GIGAGIKYXUSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS/c21-14-5-1-12(2-6-14)13-3-7-15(8-4-13)27-17-10-22-11-19-16(17)9-18(28-19)20-23-25-26-24-20/h1-11H,21H2,(H,23,24,25,26).
What are the key properties of 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline?
4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline has a molecular weight of 386.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline is sourced from PubChem (CID 44580059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).