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

C12H15N3O2S — CID 16933517

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-5-9(16)14-10-8(3)13-12-15(11(10)17)7(2)6-18-12/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyOTEFAWYRNPKCRO-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.11
Rot. Bonds3

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

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (PubChem CID 16933517) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
PubChem CID16933517
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2scc(C)n2c1=O
InChIInChI=1S/C12H15N3O2S/c1-4-5-9(16)14-10-8(3)13-12-15(11(10)17)7(2)6-18-12/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyOTEFAWYRNPKCRO-UHFFFAOYSA-N
XLogP2.11
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (CID 16933517) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is CCCC(=O)Nc1c(C)nc2scc(C)n2c1=O.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The InChIKey is OTEFAWYRNPKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-5-9(16)14-10-8(3)13-12-15(11(10)17)7(2)6-18-12/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide has a molecular weight of 265.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 16933517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).