2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide

C15H16N4O2S — CID 16868168

IUPAC2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CC1CSc2ncc(C)c(=O)n21
InChIInChI=1S/C15H16N4O2S/c1-9-4-3-5-16-13(9)18-12(20)6-11-8-22-15-17-7-10(2)14(21)19(11)15/h3-5,7,11H,6,8H2,1-2H3,(H,16,18,20)
InChIKeyIOGJXMDOIQOTLI-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.93
Rot. Bonds3

About 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 16868168) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID16868168
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CC1CSc2ncc(C)c(=O)n21
InChIInChI=1S/C15H16N4O2S/c1-9-4-3-5-16-13(9)18-12(20)6-11-8-22-15-17-7-10(2)14(21)19(11)15/h3-5,7,11H,6,8H2,1-2H3,(H,16,18,20)
InChIKeyIOGJXMDOIQOTLI-UHFFFAOYSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 16868168) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)CC1CSc2ncc(C)c(=O)n21.
What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is IOGJXMDOIQOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-4-3-5-16-13(9)18-12(20)6-11-8-22-15-17-7-10(2)14(21)19(11)15/h3-5,7,11H,6,8H2,1-2H3,(H,16,18,20).
What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 316.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 16868168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).