methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate

C15H11N3O4S — CID 3236721

IUPACmethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H11N3O4S/c1-22-14(21)9-4-2-3-5-11(9)17-12(19)10-8-16-15-18(13(10)20)6-7-23-15/h2-8H,1H3,(H,17,19)
InChIKeyNXPWVQRGIHSVDD-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate

methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate (PubChem CID 3236721) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
PubChem CID3236721
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Namemethyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C15H11N3O4S/c1-22-14(21)9-4-2-3-5-11(9)17-12(19)10-8-16-15-18(13(10)20)6-7-23-15/h2-8H,1H3,(H,17,19)
InChIKeyNXPWVQRGIHSVDD-UHFFFAOYSA-N
XLogP1.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate (CID 3236721) is methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
The InChIKey is NXPWVQRGIHSVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-22-14(21)9-4-2-3-5-11(9)17-12(19)10-8-16-15-18(13(10)20)6-7-23-15/h2-8H,1H3,(H,17,19).
What are the key properties of methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate?
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate has a molecular weight of 329.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate is sourced from PubChem (CID 3236721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).