2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H21N3O3S — CID 16869012

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)NCC1CCCO1)CS2
InChIInChI=1S/C15H21N3O3S/c1-9-10(2)17-15-18(14(9)20)11(8-22-15)6-13(19)16-7-12-4-3-5-21-12/h11-12H,3-8H2,1-2H3,(H,16,19)
InChIKeyXBDUGNLSKJGVLN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.19
Rot. Bonds4

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16869012) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16869012
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc2n(c(=O)c1C)C(CC(=O)NCC1CCCO1)CS2
InChIInChI=1S/C15H21N3O3S/c1-9-10(2)17-15-18(14(9)20)11(8-22-15)6-13(19)16-7-12-4-3-5-21-12/h11-12H,3-8H2,1-2H3,(H,16,19)
InChIKeyXBDUGNLSKJGVLN-UHFFFAOYSA-N
XLogP1.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16869012) is 2-(6,7-dimethyl-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-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1nc2n(c(=O)c1C)C(CC(=O)NCC1CCCO1)CS2.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is XBDUGNLSKJGVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-10(2)17-15-18(14(9)20)11(8-22-15)6-13(19)16-7-12-4-3-5-21-12/h11-12H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16869012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).