5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole

C11H13N3S — CID 118334147

IUPAC5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole
SMILESCCc1cc(-c2cnc(C)s2)nc(C)n1
InChIInChI=1S/C11H13N3S/c1-4-9-5-10(14-7(2)13-9)11-6-12-8(3)15-11/h5-6H,4H2,1-3H3
InChIKeyBGUXJWXJEQPJNZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.78
Rot. Bonds2

About 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole

5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole (PubChem CID 118334147) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole
PubChem CID118334147
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole
SMILESCCc1cc(-c2cnc(C)s2)nc(C)n1
InChIInChI=1S/C11H13N3S/c1-4-9-5-10(14-7(2)13-9)11-6-12-8(3)15-11/h5-6H,4H2,1-3H3
InChIKeyBGUXJWXJEQPJNZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole (CID 118334147) is 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole is CCc1cc(-c2cnc(C)s2)nc(C)n1.
What is the InChIKey of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole?
The InChIKey is BGUXJWXJEQPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-4-9-5-10(14-7(2)13-9)11-6-12-8(3)15-11/h5-6H,4H2,1-3H3.
What are the key properties of 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole?
5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 118334147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).