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

C16H15N3O5S2 — CID 5127363

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C16H15N3O5S2/c1-18(2)26(22,23)13-5-3-4-11(8-13)15(21)24-10-12-9-14(20)19-6-7-25-16(19)17-12/h3-9H,10H2,1-2H3
InChIKeyUXVZQTLIXSGQAQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.36
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate (PubChem CID 5127363) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate
PubChem CID5127363
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C16H15N3O5S2/c1-18(2)26(22,23)13-5-3-4-11(8-13)15(21)24-10-12-9-14(20)19-6-7-25-16(19)17-12/h3-9H,10H2,1-2H3
InChIKeyUXVZQTLIXSGQAQ-UHFFFAOYSA-N
XLogP1.36
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate (CID 5127363) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate?
The InChIKey is UXVZQTLIXSGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-18(2)26(22,23)13-5-3-4-11(8-13)15(21)24-10-12-9-14(20)19-6-7-25-16(19)17-12/h3-9H,10H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(dimethylsulfamoyl)benzoate has a molecular weight of 393.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 5127363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).