2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate

C17H16N4O2S2 — CID 58904886

IUPAC2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCc1scnc1CCOC(=O)CSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O2S2/c1-12-13(20-11-25-12)6-9-23-16(22)10-24-17-19-8-5-15(21-17)14-4-2-3-7-18-14/h2-5,7-8,11H,6,9-10H2,1H3
InChIKeyGLAQHGRCJSGYOI-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.18
Rot. Bonds7

About 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate

2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 58904886) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID58904886
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
SMILESCc1scnc1CCOC(=O)CSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H16N4O2S2/c1-12-13(20-11-25-12)6-9-23-16(22)10-24-17-19-8-5-15(21-17)14-4-2-3-7-18-14/h2-5,7-8,11H,6,9-10H2,1H3
InChIKeyGLAQHGRCJSGYOI-UHFFFAOYSA-N
XLogP3.18
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate (CID 58904886) is 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate is Cc1scnc1CCOC(=O)CSc1nccc(-c2ccccn2)n1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is GLAQHGRCJSGYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-12-13(20-11-25-12)6-9-23-16(22)10-24-17-19-8-5-15(21-17)14-4-2-3-7-18-14/h2-5,7-8,11H,6,9-10H2,1H3.
What are the key properties of 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate?
2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 372.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 58904886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).