4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile

C11H10N4O2S — CID 135379881

IUPAC4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile
SMILESCCOc1nc(-c2cc(OC)ncn2)sc1C#N
InChIInChI=1S/C11H10N4O2S/c1-3-17-10-8(5-12)18-11(15-10)7-4-9(16-2)14-6-13-7/h4,6H,3H2,1-2H3
InChIKeyRDYUBZRNPRYMID-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.88
Rot. Bonds4

About 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile

4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 135379881) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile
PubChem CID135379881
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile
SMILESCCOc1nc(-c2cc(OC)ncn2)sc1C#N
InChIInChI=1S/C11H10N4O2S/c1-3-17-10-8(5-12)18-11(15-10)7-4-9(16-2)14-6-13-7/h4,6H,3H2,1-2H3
InChIKeyRDYUBZRNPRYMID-UHFFFAOYSA-N
XLogP1.88
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile (CID 135379881) is 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile is CCOc1nc(-c2cc(OC)ncn2)sc1C#N.
What is the InChIKey of 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is RDYUBZRNPRYMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-3-17-10-8(5-12)18-11(15-10)7-4-9(16-2)14-6-13-7/h4,6H,3H2,1-2H3.
What are the key properties of 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile?
4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(6-methoxypyrimidin-4-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 135379881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).