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

C12H15N5O2S — CID 51074753

IUPAC1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCC1CN(C(=O)Cn2nnc(-c3cccs3)n2)CCO1
InChIInChI=1S/C12H15N5O2S/c1-9-7-16(4-5-19-9)11(18)8-17-14-12(13-15-17)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyTZUNLWXTPXVYPR-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.65
Rot. Bonds3

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

1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (PubChem CID 51074753) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
PubChem CID51074753
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
SMILESCC1CN(C(=O)Cn2nnc(-c3cccs3)n2)CCO1
InChIInChI=1S/C12H15N5O2S/c1-9-7-16(4-5-19-9)11(18)8-17-14-12(13-15-17)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyTZUNLWXTPXVYPR-UHFFFAOYSA-N
XLogP0.65
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 115966127
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 859207
1-(2-methylmorpholin-4-yl)-4-thiophen-2-ylbutan-1-one
CID 47016281
(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144444
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
CID 9111092
2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone (CID 51074753) is 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is CC1CN(C(=O)Cn2nnc(-c3cccs3)n2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
The InChIKey is TZUNLWXTPXVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-9-7-16(4-5-19-9)11(18)8-17-14-12(13-15-17)10-3-2-6-20-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone?
1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone has a molecular weight of 293.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 51074753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).