(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C18H20N4O2S — CID 7873603

IUPAC(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H20N4O2S/c23-15-10-14(11-22(15)9-8-12-4-2-1-3-5-12)16(24)19-18-21-20-17(25-18)13-6-7-13/h1-5,13-14H,6-11H2,(H,19,21,24)/t14-/m1/s1
InChIKeyLCKDAJKVXHYTIB-CQSZACIVSA-N
MW356.45 g/mol
LogP2.45
Rot. Bonds6

About (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 7873603) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID7873603
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H20N4O2S/c23-15-10-14(11-22(15)9-8-12-4-2-1-3-5-12)16(24)19-18-21-20-17(25-18)13-6-7-13/h1-5,13-14H,6-11H2,(H,19,21,24)/t14-/m1/s1
InChIKeyLCKDAJKVXHYTIB-CQSZACIVSA-N
XLogP2.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 45493742
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 41178293
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4785258
(3R)-1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 99990508
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16549275
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52996304
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42953075
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 7873603) is (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is LCKDAJKVXHYTIB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-15-10-14(11-22(15)9-8-12-4-2-1-3-5-12)16(24)19-18-21-20-17(25-18)13-6-7-13/h1-5,13-14H,6-11H2,(H,19,21,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7873603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).