(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide

C18H22N4O2S — CID 7438133

IUPAC(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESCCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-7-12(2)17-20-21-18(25-17)19-16(24)13-10-15(23)22(11-13)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,19,21,24)/t12-,13+/m0/s1
InChIKeyQCTIPLXGVCFYBD-QWHCGFSZSA-N
MW358.47 g/mol
LogP3.43
Rot. Bonds6

About (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide

(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 7438133) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID7438133
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESCCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-7-12(2)17-20-21-18(25-17)19-16(24)13-10-15(23)22(11-13)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,19,21,24)/t12-,13+/m0/s1
InChIKeyQCTIPLXGVCFYBD-QWHCGFSZSA-N
XLogP3.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-5-oxo-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497310
(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7449847
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7337440
1-(4-ethylphenyl)-5-oxo-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17082120
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080597
(3S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7268966
1-(4-methylphenyl)-5-oxo-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17321525
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438469
1-naphthalen-1-yl-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 24506396
(3S)-1-(4-fluorophenyl)-5-oxo-N-[5-[(2R)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 40932366
(3S)-N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7483326
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52996304

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide (CID 7438133) is (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide is CCC[C@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1.
What is the InChIKey of (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is QCTIPLXGVCFYBD-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-7-12(2)17-20-21-18(25-17)19-16(24)13-10-15(23)22(11-13)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,19,21,24)/t12-,13+/m0/s1.
What are the key properties of (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7438133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).