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

C21H14N6O2S — CID 25101222

IUPAC4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)
InChIKeyNCPSMBVBKJXJPP-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.03
Rot. Bonds5

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

4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide (PubChem CID 25101222) has the molecular formula C21H14N6O2S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
PubChem CID25101222
Molecular FormulaC21H14N6O2S
Molecular Weight414.45 g/mol
Exact Mass414.09
IUPAC Name4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)
InChIKeyNCPSMBVBKJXJPP-UHFFFAOYSA-N
XLogP4.03
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]benzamide?
The IUPAC name of 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide (CID 25101222) is 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide is NC(=O)c1ccc(-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]benzamide?
The InChIKey is NCPSMBVBKJXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27).
What are the key properties of 4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 4.03, 5 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]benzamide is sourced from PubChem (CID 25101222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).