N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C14H13N5OS — CID 862074

IUPACN-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCc1ccccc1
InChIInChI=1S/C14H13N5OS/c20-13(15-9-11-5-2-1-3-6-11)10-19-17-14(16-18-19)12-7-4-8-21-12/h1-8H,9-10H2,(H,15,20)
InChIKeyJTYOIGGZXSQFNK-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.72
Rot. Bonds5

About N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 862074) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID862074
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCc1ccccc1
InChIInChI=1S/C14H13N5OS/c20-13(15-9-11-5-2-1-3-6-11)10-19-17-14(16-18-19)12-7-4-8-21-12/h1-8H,9-10H2,(H,15,20)
InChIKeyJTYOIGGZXSQFNK-UHFFFAOYSA-N
XLogP1.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 862074) is N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is JTYOIGGZXSQFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-13(15-9-11-5-2-1-3-6-11)10-19-17-14(16-18-19)12-7-4-8-21-12/h1-8H,9-10H2,(H,15,20).
What are the key properties of N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 862074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).