1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone

C10H9N3OS — CID 61288621

IUPAC1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C10H9N3OS/c1-6-8(7(2)14)15-10(13-6)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyGORPTKMBENFUCH-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone

1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 61288621) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID61288621
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C10H9N3OS/c1-6-8(7(2)14)15-10(13-6)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyGORPTKMBENFUCH-UHFFFAOYSA-N
XLogP2.11
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone (CID 61288621) is 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(-c2ncccn2)nc1C.
What is the InChIKey of 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is GORPTKMBENFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-6-8(7(2)14)15-10(13-6)9-11-4-3-5-12-9/h3-5H,1-2H3.
What are the key properties of 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone?
1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 219.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 61288621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).