N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C19H19BrFN5O2S — CID 46261638

IUPACN-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccc(Br)cc3F)sc2n1
InChIInChI=1S/C19H19BrFN5O2S/c1-2-4-12-10-16(27)26-18(22-12)29-19(24-26)25-8-3-5-15(25)17(28)23-14-7-6-11(20)9-13(14)21/h6-7,9-10,15H,2-5,8H2,1H3,(H,23,28)
InChIKeyFVAZWHQCHXGCTP-UHFFFAOYSA-N
MW480.36 g/mol
LogP3.61
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 46261638) has the molecular formula C19H19BrFN5O2S and a molecular weight of 480.36 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID46261638
Molecular FormulaC19H19BrFN5O2S
Molecular Weight480.36 g/mol
Exact Mass479.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccc(Br)cc3F)sc2n1
InChIInChI=1S/C19H19BrFN5O2S/c1-2-4-12-10-16(27)26-18(22-12)29-19(24-26)25-8-3-5-15(25)17(28)23-14-7-6-11(20)9-13(14)21/h6-7,9-10,15H,2-5,8H2,1H3,(H,23,28)
InChIKeyFVAZWHQCHXGCTP-UHFFFAOYSA-N
XLogP3.61
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide 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-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 46261638) is N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is CCCc1cc(=O)n2nc(N3CCCC3C(=O)Nc3ccc(Br)cc3F)sc2n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FVAZWHQCHXGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN5O2S/c1-2-4-12-10-16(27)26-18(22-12)29-19(24-26)25-8-3-5-15(25)17(28)23-14-7-6-11(20)9-13(14)21/h6-7,9-10,15H,2-5,8H2,1H3,(H,23,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 480.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46261638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).