2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide

C10H13N5O3S — CID 95801874

IUPAC2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C10H13N5O3S/c1-18-7-8(16)11-4-5-14-10(17)15(13-12-14)9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,11,16)
InChIKeyHDWPBQXCMFQZKF-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.75
Rot. Bonds6

About 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide

2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide (PubChem CID 95801874) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide
PubChem CID95801874
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C10H13N5O3S/c1-18-7-8(16)11-4-5-14-10(17)15(13-12-14)9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,11,16)
InChIKeyHDWPBQXCMFQZKF-UHFFFAOYSA-N
XLogP-0.75
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide (CID 95801874) is 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide is COCC(=O)NCCn1nnn(-c2cccs2)c1=O.
What is the InChIKey of 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide?
The InChIKey is HDWPBQXCMFQZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-18-7-8(16)11-4-5-14-10(17)15(13-12-14)9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,11,16).
What are the key properties of 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide?
2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide has a molecular weight of 283.31 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 95801874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).