4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

C20H13N5OS — CID 25218754

IUPAC4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H13N5OS/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)26-17-11-21-12-19-16(17)10-18(27-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)
InChIKeyALSCJHCBHMRCIE-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.94
Rot. Bonds4

About 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 25218754) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID25218754
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC Name4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C20H13N5OS/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)26-17-11-21-12-19-16(17)10-18(27-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25)
InChIKeyALSCJHCBHMRCIE-UHFFFAOYSA-N
XLogP4.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 25218754) is 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is ALSCJHCBHMRCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)26-17-11-21-12-19-16(17)10-18(27-19)20-22-24-25-23-20/h1-12H,(H,22,23,24,25).
What are the key properties of 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 371.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 25218754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).