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

C12H17N3O2S — CID 16868993

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-4-13-10(16)5-9-6-18-12-14-8(3)7(2)11(17)15(9)12/h9H,4-6H2,1-3H3,(H,13,16)
InChIKeyVUGNYSQKYWYQSH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.03
Rot. Bonds3

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

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide (PubChem CID 16868993) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 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-ethylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide
PubChem CID16868993
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-4-13-10(16)5-9-6-18-12-14-8(3)7(2)11(17)15(9)12/h9H,4-6H2,1-3H3,(H,13,16)
InChIKeyVUGNYSQKYWYQSH-UHFFFAOYSA-N
XLogP1.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-ethylacetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide (CID 16868993) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide.
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-ethylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide is CCNC(=O)CC1CSc2nc(C)c(C)c(=O)n21.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide?
The InChIKey is VUGNYSQKYWYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-13-10(16)5-9-6-18-12-14-8(3)7(2)11(17)15(9)12/h9H,4-6H2,1-3H3,(H,13,16).
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-ethylacetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-ethylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-ethylacetamide is sourced from PubChem (CID 16868993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).