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

C14H9N5OS — CID 44580676

IUPAC4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H9N5OS/c1-2-4-9(5-3-1)20-11-7-15-8-13-10(11)6-12(21-13)14-16-18-19-17-14/h1-8H,(H,16,17,18,19)
InChIKeyLQZKADWTXZGRQF-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.27
Rot. Bonds3

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

4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580676) has the molecular formula C14H9N5OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580676
Molecular FormulaC14H9N5OS
Molecular Weight295.33 g/mol
Exact Mass295.05
IUPAC Name4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C14H9N5OS/c1-2-4-9(5-3-1)20-11-7-15-8-13-10(11)6-12(21-13)14-16-18-19-17-14/h1-8H,(H,16,17,18,19)
InChIKeyLQZKADWTXZGRQF-UHFFFAOYSA-N
XLogP3.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44580674
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CID 25101222
CID 25101222
CID 25211459
CID 25211459
CID 44580056
CID 44580056
CID 44580057
CID 44580057
CID 44580058
CID 44580058
CID 44580059
CID 44580059
CID 44580107
CID 44580107
CID 44580231
CID 44580231

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580676) is 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is LQZKADWTXZGRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5OS/c1-2-4-9(5-3-1)20-11-7-15-8-13-10(11)6-12(21-13)14-16-18-19-17-14/h1-8H,(H,16,17,18,19).
What are the key properties of 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 295.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).