2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine

C10H12N4S — CID 115531309

IUPAC2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1nccc(-c2nc(CCN)cs2)n1
InChIInChI=1S/C10H12N4S/c1-7-12-5-3-9(13-7)10-14-8(2-4-11)6-15-10/h3,5-6H,2,4,11H2,1H3
InChIKeyOKLDJLOTUBPTBF-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.41
Rot. Bonds3

About 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115531309) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115531309
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCc1nccc(-c2nc(CCN)cs2)n1
InChIInChI=1S/C10H12N4S/c1-7-12-5-3-9(13-7)10-14-8(2-4-11)6-15-10/h3,5-6H,2,4,11H2,1H3
InChIKeyOKLDJLOTUBPTBF-UHFFFAOYSA-N
XLogP1.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine (CID 115531309) is 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine is Cc1nccc(-c2nc(CCN)cs2)n1.
What is the InChIKey of 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is OKLDJLOTUBPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-12-5-3-9(13-7)10-14-8(2-4-11)6-15-10/h3,5-6H,2,4,11H2,1H3.
What are the key properties of 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 220.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).