2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C11H11N3O2S — CID 136982286

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1csc(-c2nc3c(c(=O)[nH]2)COCC3)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-17-11(12-6)9-13-8-2-3-16-4-7(8)10(15)14-9/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyREUJUWBZLGGYJQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.27
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136982286) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136982286
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1csc(-c2nc3c(c(=O)[nH]2)COCC3)n1
InChIInChI=1S/C11H11N3O2S/c1-6-5-17-11(12-6)9-13-8-2-3-16-4-7(8)10(15)14-9/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyREUJUWBZLGGYJQ-UHFFFAOYSA-N
XLogP1.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136982286) is 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is Cc1csc(-c2nc3c(c(=O)[nH]2)COCC3)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is REUJUWBZLGGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-5-17-11(12-6)9-13-8-2-3-16-4-7(8)10(15)14-9/h5H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 249.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136982286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).