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

C13H17N3O2S — CID 16933413

IUPAC3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H17N3O2S/c1-8-10(15-9(17)7-13(2,3)4)11(18)16-5-6-19-12(16)14-8/h5-6H,7H2,1-4H3,(H,15,17)
InChIKeyIITQOPDMKHZWFB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds2

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

3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (PubChem CID 16933413) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
PubChem CID16933413
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H17N3O2S/c1-8-10(15-9(17)7-13(2,3)4)11(18)16-5-6-19-12(16)14-8/h5-6H,7H2,1-4H3,(H,15,17)
InChIKeyIITQOPDMKHZWFB-UHFFFAOYSA-N
XLogP2.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (CID 16933413) is 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is Cc1nc2sccn2c(=O)c1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The InChIKey is IITQOPDMKHZWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-10(15-9(17)7-13(2,3)4)11(18)16-5-6-19-12(16)14-8/h5-6H,7H2,1-4H3,(H,15,17).
What are the key properties of 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide has a molecular weight of 279.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 16933413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).