(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide

C16H20N4OS — CID 124857187

IUPAC(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1
InChIInChI=1S/C16H20N4OS/c1-3-14-18-19-16(22-14)17-15(21)13-10-20(2)9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19,21)/t12-,13-/m0/s1
InChIKeyARLNGPZTDFZTCS-STQMWFEESA-N
MW316.43 g/mol
LogP2.38
Rot. Bonds4

About (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide

(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide (PubChem CID 124857187) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
PubChem CID124857187
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1
InChIInChI=1S/C16H20N4OS/c1-3-14-18-19-16(22-14)17-15(21)13-10-20(2)9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19,21)/t12-,13-/m0/s1
InChIKeyARLNGPZTDFZTCS-STQMWFEESA-N
XLogP2.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
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
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6463897
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
(2S,3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7390299

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide (CID 124857187) is (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide is CCc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1.
What is the InChIKey of (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is ARLNGPZTDFZTCS-STQMWFEESA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-14-18-19-16(22-14)17-15(21)13-10-20(2)9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3,(H,17,19,21)/t12-,13-/m0/s1.
What are the key properties of (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide?
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124857187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).