1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone

C8H6N4OS — CID 130550621

IUPAC1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)c1cncnc1
InChIInChI=1S/C8H6N4OS/c13-8(1-7-4-14-12-11-7)6-2-9-5-10-3-6/h2-5H,1H2
InChIKeyXATKUBYKNXFJBD-UHFFFAOYSA-N
MW206.23 g/mol
LogP0.75
Rot. Bonds3

About 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone

1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone (PubChem CID 130550621) has the molecular formula C8H6N4OS and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone
PubChem CID130550621
Molecular FormulaC8H6N4OS
Molecular Weight206.23 g/mol
Exact Mass206.03
IUPAC Name1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone
SMILESO=C(Cc1csnn1)c1cncnc1
InChIInChI=1S/C8H6N4OS/c13-8(1-7-4-14-12-11-7)6-2-9-5-10-3-6/h2-5H,1H2
InChIKeyXATKUBYKNXFJBD-UHFFFAOYSA-N
XLogP0.75
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone?
The IUPAC name of 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone (CID 130550621) is 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone.
What is the SMILES notation for 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone?
The canonical SMILES for 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone is O=C(Cc1csnn1)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone?
The InChIKey is XATKUBYKNXFJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS/c13-8(1-7-4-14-12-11-7)6-2-9-5-10-3-6/h2-5H,1H2.
What are the key properties of 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone?
1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone has a molecular weight of 206.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yl-2-(thiadiazol-4-yl)ethanone is sourced from PubChem (CID 130550621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).