2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide

C13H18N6O3S — CID 17449641

IUPAC2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C13H18N6O3S/c1-3-6-14-12(21)9(2)15-10(20)8-18-13(22)19(17-16-18)11-5-4-7-23-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,21)(H,15,20)
InChIKeyYZIPZNYTFASYSX-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.48
Rot. Bonds7

About 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide

2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 17449641) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide
PubChem CID17449641
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Name2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C13H18N6O3S/c1-3-6-14-12(21)9(2)15-10(20)8-18-13(22)19(17-16-18)11-5-4-7-23-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,21)(H,15,20)
InChIKeyYZIPZNYTFASYSX-UHFFFAOYSA-N
XLogP-0.48
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide (CID 17449641) is 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is YZIPZNYTFASYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-3-6-14-12(21)9(2)15-10(20)8-18-13(22)19(17-16-18)11-5-4-7-23-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,21)(H,15,20).
What are the key properties of 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide?
2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 338.39 g/mol, XLogP of -0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 17449641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).