(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C14H13N3O4S2 — CID 47008860

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H13N3O4S2/c1-9-8-23-14(20)16(9)3-2-12(19)21-7-10-6-11(18)17-4-5-22-13(17)15-10/h4-6,8H,2-3,7H2,1H3
InChIKeyGLGOHKZZRNPZDT-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.42
Rot. Bonds5

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 47008860) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID47008860
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H13N3O4S2/c1-9-8-23-14(20)16(9)3-2-12(19)21-7-10-6-11(18)17-4-5-22-13(17)15-10/h4-6,8H,2-3,7H2,1H3
InChIKeyGLGOHKZZRNPZDT-UHFFFAOYSA-N
XLogP1.42
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 47008860) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is GLGOHKZZRNPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-9-8-23-14(20)16(9)3-2-12(19)21-7-10-6-11(18)17-4-5-22-13(17)15-10/h4-6,8H,2-3,7H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 351.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 47008860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).