2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C9H8N8OS — CID 61216097

IUPAC2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)Nc1ncn[nH]1
InChIInChI=1S/C9H8N8OS/c18-7(12-9-10-5-11-14-9)3-17-15-8(13-16-17)6-1-2-19-4-6/h1-2,4-5H,3H2,(H2,10,11,12,14,18)
InChIKeyJXNUEVJURZDRBS-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.16
Rot. Bonds4

About 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 61216097) has the molecular formula C9H8N8OS and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID61216097
Molecular FormulaC9H8N8OS
Molecular Weight276.29 g/mol
Exact Mass276.05
IUPAC Name2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)Nc1ncn[nH]1
InChIInChI=1S/C9H8N8OS/c18-7(12-9-10-5-11-14-9)3-17-15-8(13-16-17)6-1-2-19-4-6/h1-2,4-5H,3H2,(H2,10,11,12,14,18)
InChIKeyJXNUEVJURZDRBS-UHFFFAOYSA-N
XLogP0.16
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128153
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115878438
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 61216097) is 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cn1nnc(-c2ccsc2)n1)Nc1ncn[nH]1.
What is the InChIKey of 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is JXNUEVJURZDRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8OS/c18-7(12-9-10-5-11-14-9)3-17-15-8(13-16-17)6-1-2-19-4-6/h1-2,4-5H,3H2,(H2,10,11,12,14,18).
What are the key properties of 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 276.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 61216097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).