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

C10H9N3OS — CID 168896463

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2scnc2C)nc1
InChIInChI=1S/C10H9N3OS/c1-6-9(15-5-13-6)10-11-3-8(4-12-10)7(2)14/h3-5H,1-2H3
InChIKeyGKODYBMAEIXXHE-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.11
Rot. Bonds2

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

1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone (PubChem CID 168896463) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone
PubChem CID168896463
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2scnc2C)nc1
InChIInChI=1S/C10H9N3OS/c1-6-9(15-5-13-6)10-11-3-8(4-12-10)7(2)14/h3-5H,1-2H3
InChIKeyGKODYBMAEIXXHE-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-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone (CID 168896463) is 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(-c2scnc2C)nc1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone?
The InChIKey is GKODYBMAEIXXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-6-9(15-5-13-6)10-11-3-8(4-12-10)7(2)14/h3-5H,1-2H3.
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone?
1-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-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-[2-(4-methyl-1,3-thiazol-5-yl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 168896463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).