1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C13H13N5O2S — CID 91821431

IUPAC1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O
InChIInChI=1S/C13H13N5O2S/c1-18-7-9(5-10(18)19)11(20)15-13-17-16-12(21-13)8-3-2-4-14-6-8/h2-4,6,9H,5,7H2,1H3,(H,15,17,20)
InChIKeyWHEZRTUEYYFVDC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 91821431) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID91821431
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O
InChIInChI=1S/C13H13N5O2S/c1-18-7-9(5-10(18)19)11(20)15-13-17-16-12(21-13)8-3-2-4-14-6-8/h2-4,6,9H,5,7H2,1H3,(H,15,17,20)
InChIKeyWHEZRTUEYYFVDC-UHFFFAOYSA-N
XLogP1.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 167019906
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108770960
(3S)-5-oxo-1-phenyl-N-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7162126
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
1-[3-(dimethylamino)propyl]-5-oxo-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108810031
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 40834154
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 91821431) is 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CN1CC(C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is WHEZRTUEYYFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-18-7-9(5-10(18)19)11(20)15-13-17-16-12(21-13)8-3-2-4-14-6-8/h2-4,6,9H,5,7H2,1H3,(H,15,17,20).
What are the key properties of 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91821431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).