1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

C11H13N5O2S — CID 5295436

IUPAC1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1CCOCC1
InChIInChI=1S/C11H13N5O2S/c17-10(15-3-5-18-6-4-15)8-16-13-11(12-14-16)9-2-1-7-19-9/h1-2,7H,3-6,8H2
InChIKeyVVFQCUCLTVMWRU-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.26
Rot. Bonds3

About 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone

1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 5295436) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID5295436
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2cccs2)n1)N1CCOCC1
InChIInChI=1S/C11H13N5O2S/c17-10(15-3-5-18-6-4-15)8-16-13-11(12-14-16)9-2-1-7-19-9/h1-2,7H,3-6,8H2
InChIKeyVVFQCUCLTVMWRU-UHFFFAOYSA-N
XLogP0.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 5295436) is 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2cccs2)n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is VVFQCUCLTVMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c17-10(15-3-5-18-6-4-15)8-16-13-11(12-14-16)9-2-1-7-19-9/h1-2,7H,3-6,8H2.
What are the key properties of 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 279.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 5295436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).