(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C16H22N6O2S — CID 138012870

IUPAC(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2nccn2CC)s1
InChIInChI=1S/C16H22N6O2S/c1-4-11-19-20-16(25-11)18-15(24)10-9-12(23)22(6-3)13(10)14-17-7-8-21(14)5-2/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,20,24)/t10-,13-/m0/s1
InChIKeyRZYHEMKCMWMQKT-GWCFXTLKSA-N
MW362.46 g/mol
LogP1.87
Rot. Bonds6

About (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 138012870) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID138012870
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2nccn2CC)s1
InChIInChI=1S/C16H22N6O2S/c1-4-11-19-20-16(25-11)18-15(24)10-9-12(23)22(6-3)13(10)14-17-7-8-21(14)5-2/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,20,24)/t10-,13-/m0/s1
InChIKeyRZYHEMKCMWMQKT-GWCFXTLKSA-N
XLogP1.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-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

(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 138012860
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 47020205
(2R,3S)-1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 8927363
(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 138015699
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 124857187
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-4-carboxamide
CID 166277332
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 138012870) is (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(NC(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2nccn2CC)s1.
What is the InChIKey of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZYHEMKCMWMQKT-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-4-11-19-20-16(25-11)18-15(24)10-9-12(23)22(6-3)13(10)14-17-7-8-21(14)5-2/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,20,24)/t10-,13-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138012870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).