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

C16H13N3O4S — CID 3993922

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H13N3O4S/c20-13-8-12(18-16-19(13)6-7-24-16)10-23-14(21)9-17-15(22)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,22)
InChIKeyDCKFYJIZCRRDNN-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.23
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate (PubChem CID 3993922) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
PubChem CID3993922
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H13N3O4S/c20-13-8-12(18-16-19(13)6-7-24-16)10-23-14(21)9-17-15(22)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,22)
InChIKeyDCKFYJIZCRRDNN-UHFFFAOYSA-N
XLogP1.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate (CID 3993922) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
The InChIKey is DCKFYJIZCRRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-13-8-12(18-16-19(13)6-7-24-16)10-23-14(21)9-17-15(22)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,22).
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate has a molecular weight of 343.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-benzamidoacetate is sourced from PubChem (CID 3993922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).