2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide

C13H20N6OS — CID 177376627

IUPAC2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H20N6OS/c14-9-12(20)15-6-3-1-2-4-7-19-17-13(16-18-19)11-5-8-21-10-11/h5,8,10H,1-4,6-7,9,14H2,(H,15,20)
InChIKeyNCBWDJNRDMXCKO-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.04
Rot. Bonds9

About 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide

2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide (PubChem CID 177376627) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
PubChem CID177376627
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
SMILESNCC(=O)NCCCCCCn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H20N6OS/c14-9-12(20)15-6-3-1-2-4-7-19-17-13(16-18-19)11-5-8-21-10-11/h5,8,10H,1-4,6-7,9,14H2,(H,15,20)
InChIKeyNCBWDJNRDMXCKO-UHFFFAOYSA-N
XLogP1.04
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide?
The IUPAC name of 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide (CID 177376627) is 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide is NCC(=O)NCCCCCCn1nnc(-c2ccsc2)n1.
What is the InChIKey of 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide?
The InChIKey is NCBWDJNRDMXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c14-9-12(20)15-6-3-1-2-4-7-19-17-13(16-18-19)11-5-8-21-10-11/h5,8,10H,1-4,6-7,9,14H2,(H,15,20).
What are the key properties of 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide?
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide is sourced from PubChem (CID 177376627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).