N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide

C18H19FN4O2S2 — CID 20961846

IUPACN-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide
SMILESCC(C)Cc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1
InChIInChI=1S/C18H19FN4O2S2/c1-11(2)7-16-22-23-17(25)8-12(20-18(23)27-16)9-26-10-15(24)21-14-6-4-3-5-13(14)19/h3-6,8,11H,7,9-10H2,1-2H3,(H,21,24)
InChIKeyUMDYBYGGWGJRJY-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.36
Rot. Bonds7

About N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide (PubChem CID 20961846) has the molecular formula C18H19FN4O2S2 and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide
PubChem CID20961846
Molecular FormulaC18H19FN4O2S2
Molecular Weight406.51 g/mol
Exact Mass406.09
IUPAC NameN-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide
SMILESCC(C)Cc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1
InChIInChI=1S/C18H19FN4O2S2/c1-11(2)7-16-22-23-17(25)8-12(20-18(23)27-16)9-26-10-15(24)21-14-6-4-3-5-13(14)19/h3-6,8,11H,7,9-10H2,1-2H3,(H,21,24)
InChIKeyUMDYBYGGWGJRJY-UHFFFAOYSA-N
XLogP3.36
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide 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 N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide (CID 20961846) is N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide is CC(C)Cc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3F)nc2s1.
What is the InChIKey of N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide?
The InChIKey is UMDYBYGGWGJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S2/c1-11(2)7-16-22-23-17(25)8-12(20-18(23)27-16)9-26-10-15(24)21-14-6-4-3-5-13(14)19/h3-6,8,11H,7,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[2-(2-methylpropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 20961846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).