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

C11H13N3O2S — CID 16933414

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-4-8(15)13-9-7(2)12-11-14(10(9)16)5-6-17-11/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyKGBLYDALRMHKAP-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.80
Rot. Bonds3

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

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (PubChem CID 16933414) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
PubChem CID16933414
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-4-8(15)13-9-7(2)12-11-14(10(9)16)5-6-17-11/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyKGBLYDALRMHKAP-UHFFFAOYSA-N
XLogP1.80
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide (CID 16933414) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is CCCC(=O)Nc1c(C)nc2sccn2c1=O.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
The InChIKey is KGBLYDALRMHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-8(15)13-9-7(2)12-11-14(10(9)16)5-6-17-11/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide has a molecular weight of 251.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide is sourced from PubChem (CID 16933414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).