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

C17H17N3O2S — CID 16933453

IUPACN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1c(C)nc2sccn2c1=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-3-13(12-7-5-4-6-8-12)15(21)19-14-11(2)18-17-20(16(14)22)9-10-23-17/h4-10,13H,3H2,1-2H3,(H,19,21)
InChIKeyOEFUDJLDCIEYCP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds4

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

N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide (PubChem CID 16933453) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide
PubChem CID16933453
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1c(C)nc2sccn2c1=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-3-13(12-7-5-4-6-8-12)15(21)19-14-11(2)18-17-20(16(14)22)9-10-23-17/h4-10,13H,3H2,1-2H3,(H,19,21)
InChIKeyOEFUDJLDCIEYCP-UHFFFAOYSA-N
XLogP3.20
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
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)-2-phenylbutanamide?
The IUPAC name of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide (CID 16933453) is N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide?
The canonical SMILES for N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide is CCC(C(=O)Nc1c(C)nc2sccn2c1=O)c1ccccc1.
What is the InChIKey of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide?
The InChIKey is OEFUDJLDCIEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-13(12-7-5-4-6-8-12)15(21)19-14-11(2)18-17-20(16(14)22)9-10-23-17/h4-10,13H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide?
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide has a molecular weight of 327.41 g/mol, XLogP of 3.20, 4 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)-2-phenylbutanamide is sourced from PubChem (CID 16933453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).