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

C19H21N5O2S — CID 20893088

IUPACN-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN2c2nn3c(=O)cc(C)nc3s2)cc1
InChIInChI=1S/C19H21N5O2S/c1-3-13-6-8-14(9-7-13)21-17(26)15-5-4-10-23(15)19-22-24-16(25)11-12(2)20-18(24)27-19/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,26)
InChIKeyDODDANQDTHKCBE-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.63
Rot. Bonds4

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

N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 20893088) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID20893088
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN2c2nn3c(=O)cc(C)nc3s2)cc1
InChIInChI=1S/C19H21N5O2S/c1-3-13-6-8-14(9-7-13)21-17(26)15-5-4-10-23(15)19-22-24-16(25)11-12(2)20-18(24)27-19/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,26)
InChIKeyDODDANQDTHKCBE-UHFFFAOYSA-N
XLogP2.63
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[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-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 20893088) is N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is CCc1ccc(NC(=O)C2CCCN2c2nn3c(=O)cc(C)nc3s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is DODDANQDTHKCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-13-6-8-14(9-7-13)21-17(26)15-5-4-10-23(15)19-22-24-16(25)11-12(2)20-18(24)27-19/h6-9,11,15H,3-5,10H2,1-2H3,(H,21,26).
What are the key properties of N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 20893088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).