2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N4O4S2 — CID 16868017

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S2/c1-11-8-16(23)21-13(10-26-17(21)20-11)9-15(22)19-7-6-12-2-4-14(5-3-12)27(18,24)25/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyVMQBPVAGVHFLPK-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.59
Rot. Bonds6

About 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 16868017) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID16868017
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S2/c1-11-8-16(23)21-13(10-26-17(21)20-11)9-15(22)19-7-6-12-2-4-14(5-3-12)27(18,24)25/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,22)(H2,18,24,25)
InChIKeyVMQBPVAGVHFLPK-UHFFFAOYSA-N
XLogP0.59
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 16868017) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VMQBPVAGVHFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-11-8-16(23)21-13(10-26-17(21)20-11)9-15(22)19-7-6-12-2-4-14(5-3-12)27(18,24)25/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,22)(H2,18,24,25).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 16868017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).