5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile

C10H9N5OS — CID 58712305

IUPAC5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCCc1cnc(Nc2s[nH]c(=O)c2C#N)nc1
InChIInChI=1S/C10H9N5OS/c1-2-6-4-12-10(13-5-6)14-9-7(3-11)8(16)15-17-9/h4-5H,2H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyYQOAVCSESKMMEF-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.40
Rot. Bonds3

About 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile

5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 58712305) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID58712305
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCCc1cnc(Nc2s[nH]c(=O)c2C#N)nc1
InChIInChI=1S/C10H9N5OS/c1-2-6-4-12-10(13-5-6)14-9-7(3-11)8(16)15-17-9/h4-5H,2H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyYQOAVCSESKMMEF-UHFFFAOYSA-N
XLogP1.40
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile (CID 58712305) is 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile is CCc1cnc(Nc2s[nH]c(=O)c2C#N)nc1.
What is the InChIKey of 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is YQOAVCSESKMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-2-6-4-12-10(13-5-6)14-9-7(3-11)8(16)15-17-9/h4-5H,2H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile?
5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 247.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylpyrimidin-2-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 58712305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).