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

C17H15N5O2S — CID 58622650

IUPAC4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCC(C)Oc1cccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C17H15N5O2S/c1-10(2)23-11-4-3-5-12(6-11)24-14-8-18-9-16-13(14)7-15(25-16)17-19-21-22-20-17/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyPJDMNCJGXDGKOS-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.06
Rot. Bonds5

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

4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 58622650) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID58622650
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCC(C)Oc1cccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C17H15N5O2S/c1-10(2)23-11-4-3-5-12(6-11)24-14-8-18-9-16-13(14)7-15(25-16)17-19-21-22-20-17/h3-10H,1-2H3,(H,19,20,21,22)
InChIKeyPJDMNCJGXDGKOS-UHFFFAOYSA-N
XLogP4.06
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 58622650) is 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is CC(C)Oc1cccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is PJDMNCJGXDGKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10(2)23-11-4-3-5-12(6-11)24-14-8-18-9-16-13(14)7-15(25-16)17-19-21-22-20-17/h3-10H,1-2H3,(H,19,20,21,22).
What are the key properties of 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 353.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxyphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 58622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).