2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide

C16H18N4O3S2 — CID 15990061

IUPAC2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1
InChIInChI=1S/C16H18N4O3S2/c1-4-11-6-8-12(9-7-11)19-25(22,23)14-10(3)17-16-20(15(14)21)18-13(5-2)24-16/h6-9,19H,4-5H2,1-3H3
InChIKeyQLHSPQNJNIMALI-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.39
Rot. Bonds5

About 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide

2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 15990061) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID15990061
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1
InChIInChI=1S/C16H18N4O3S2/c1-4-11-6-8-12(9-7-11)19-25(22,23)14-10(3)17-16-20(15(14)21)18-13(5-2)24-16/h6-9,19H,4-5H2,1-3H3
InChIKeyQLHSPQNJNIMALI-UHFFFAOYSA-N
XLogP2.39
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 15990061) is 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide is CCc1ccc(NS(=O)(=O)c2c(C)nc3sc(CC)nn3c2=O)cc1.
What is the InChIKey of 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is QLHSPQNJNIMALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-4-11-6-8-12(9-7-11)19-25(22,23)14-10(3)17-16-20(15(14)21)18-13(5-2)24-16/h6-9,19H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide?
2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-ethylphenyl)-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 15990061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).