4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole

C14H15N5S — CID 56872847

IUPAC4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nccc(-c2nccn2Cc2csc(C)n2)n1
InChIInChI=1S/C14H15N5S/c1-3-13-15-5-4-12(18-13)14-16-6-7-19(14)8-11-9-20-10(2)17-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJXLAAZWQVJQCCR-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.72
Rot. Bonds4

About 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 56872847) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID56872847
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCCc1nccc(-c2nccn2Cc2csc(C)n2)n1
InChIInChI=1S/C14H15N5S/c1-3-13-15-5-4-12(18-13)14-16-6-7-19(14)8-11-9-20-10(2)17-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJXLAAZWQVJQCCR-UHFFFAOYSA-N
XLogP2.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole (CID 56872847) is 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole is CCc1nccc(-c2nccn2Cc2csc(C)n2)n1.
What is the InChIKey of 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is JXLAAZWQVJQCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-3-13-15-5-4-12(18-13)14-16-6-7-19(14)8-11-9-20-10(2)17-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 285.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 56872847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).