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

C14H15N5O2S — CID 124505381

IUPAC(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C14H15N5O2S/c1-8-17-18-14(22-8)16-13(21)10-6-11(20)19(2)12(10)9-4-3-5-15-7-9/h3-5,7,10,12H,6H2,1-2H3,(H,16,18,21)/t10-,12+/m0/s1
InChIKeyFRXIYROCMWCXPV-CMPLNLGQSA-N
MW317.37 g/mol
LogP1.40
Rot. Bonds3

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

(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 124505381) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID124505381
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C14H15N5O2S/c1-8-17-18-14(22-8)16-13(21)10-6-11(20)19(2)12(10)9-4-3-5-15-7-9/h3-5,7,10,12H,6H2,1-2H3,(H,16,18,21)/t10-,12+/m0/s1
InChIKeyFRXIYROCMWCXPV-CMPLNLGQSA-N
XLogP1.40
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95967290
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 96546806
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95326972
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220
(2S,3S)-N-hexyl-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 97027555

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 124505381) is (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is Cc1nnc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)s1.
What is the InChIKey of (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is FRXIYROCMWCXPV-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-8-17-18-14(22-8)16-13(21)10-6-11(20)19(2)12(10)9-4-3-5-15-7-9/h3-5,7,10,12H,6H2,1-2H3,(H,16,18,21)/t10-,12+/m0/s1.
What are the key properties of (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124505381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).