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

C18H17N3O5S — CID 7899292

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3c(C)csc3n2)c1
InChIInChI=1S/C18H17N3O5S/c1-11-10-27-18-20-13(7-15(22)21(11)18)9-26-16(23)8-19-17(24)12-4-3-5-14(6-12)25-2/h3-7,10H,8-9H2,1-2H3,(H,19,24)
InChIKeyQSDTWQSMNQXGOM-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.55
Rot. Bonds6

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 7899292) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID7899292
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3c(C)csc3n2)c1
InChIInChI=1S/C18H17N3O5S/c1-11-10-27-18-20-13(7-15(22)21(11)18)9-26-16(23)8-19-17(24)12-4-3-5-14(6-12)25-2/h3-7,10H,8-9H2,1-2H3,(H,19,24)
InChIKeyQSDTWQSMNQXGOM-UHFFFAOYSA-N
XLogP1.55
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate (CID 7899292) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3c(C)csc3n2)c1.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is QSDTWQSMNQXGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-11-10-27-18-20-13(7-15(22)21(11)18)9-26-16(23)8-19-17(24)12-4-3-5-14(6-12)25-2/h3-7,10H,8-9H2,1-2H3,(H,19,24).
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 387.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).