2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C14H10F3N5O2S — CID 5295423

IUPAC2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23)
InChIKeyNKMYQMPYCFGIQT-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.94
Rot. Bonds5

About 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 5295423) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID5295423
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23)
InChIKeyNKMYQMPYCFGIQT-UHFFFAOYSA-N
XLogP2.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 5295423) is 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NKMYQMPYCFGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23).
What are the key properties of 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 369.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 5295423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).