2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C14H19N3O3S — CID 16867913

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1
InChIInChI=1S/C14H19N3O3S/c1-9-5-13(19)17-10(8-21-14(17)16-9)6-12(18)15-7-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18)
InChIKeyDKVMIDYWKHBMHK-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.88
Rot. Bonds4

About 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16867913) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16867913
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1
InChIInChI=1S/C14H19N3O3S/c1-9-5-13(19)17-10(8-21-14(17)16-9)6-12(18)15-7-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18)
InChIKeyDKVMIDYWKHBMHK-UHFFFAOYSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16867913) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DKVMIDYWKHBMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-5-13(19)17-10(8-21-14(17)16-9)6-12(18)15-7-11-3-2-4-20-11/h5,10-11H,2-4,6-8H2,1H3,(H,15,18).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16867913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).