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

C17H15N3O4S — CID 7889635

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
SMILESCc1csc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n12
InChIInChI=1S/C17H15N3O4S/c1-11-10-25-17-19-13(7-14(21)20(11)17)9-24-15(22)8-18-16(23)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,18,23)
InChIKeyBKLYJNWFXZOLGY-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.54
Rot. Bonds5

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate (PubChem CID 7889635) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
PubChem CID7889635
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
SMILESCc1csc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n12
InChIInChI=1S/C17H15N3O4S/c1-11-10-25-17-19-13(7-14(21)20(11)17)9-24-15(22)8-18-16(23)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,18,23)
InChIKeyBKLYJNWFXZOLGY-UHFFFAOYSA-N
XLogP1.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate (CID 7889635) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate is Cc1csc2nc(COC(=O)CNC(=O)c3ccccc3)cc(=O)n12.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The InChIKey is BKLYJNWFXZOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-10-25-17-19-13(7-14(21)20(11)17)9-24-15(22)8-18-16(23)12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3,(H,18,23).
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate has a molecular weight of 357.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate is sourced from PubChem (CID 7889635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).