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

C15H11N5OS — CID 44580715

IUPAC4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H11N5OS/c1-9-2-4-10(5-3-9)21-12-7-16-8-14-11(12)6-13(22-14)15-17-19-20-18-15/h2-8H,1H3,(H,17,18,19,20)
InChIKeyYEIMDRLHFGJVBY-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.58
Rot. Bonds3

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

4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580715) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580715
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C15H11N5OS/c1-9-2-4-10(5-3-9)21-12-7-16-8-14-11(12)6-13(22-14)15-17-19-20-18-15/h2-8H,1H3,(H,17,18,19,20)
InChIKeyYEIMDRLHFGJVBY-UHFFFAOYSA-N
XLogP3.58
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580715) is 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is Cc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is YEIMDRLHFGJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-9-2-4-10(5-3-9)21-12-7-16-8-14-11(12)6-13(22-14)15-17-19-20-18-15/h2-8H,1H3,(H,17,18,19,20).
What are the key properties of 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 309.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).