N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C12H15N5OS — CID 115628398

IUPACN-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC/C=C/CCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C12H15N5OS/c1-2-3-4-6-13-11(18)8-17-15-12(14-16-17)10-5-7-19-9-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,13,18)/b3-2+
InChIKeyYWKABLQMBHXTSG-NSCUHMNNSA-N
MW277.35 g/mol
LogP1.48
Rot. Bonds6

About N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 115628398) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID115628398
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC/C=C/CCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C12H15N5OS/c1-2-3-4-6-13-11(18)8-17-15-12(14-16-17)10-5-7-19-9-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,13,18)/b3-2+
InChIKeyYWKABLQMBHXTSG-NSCUHMNNSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103862002
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 115628398) is N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is C/C=C/CCNC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is YWKABLQMBHXTSG-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-3-4-6-13-11(18)8-17-15-12(14-16-17)10-5-7-19-9-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,13,18)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 115628398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).