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

C18H20N4O3S — CID 51972771

IUPAC(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-22-14(23)10-12(15(22)11-6-3-2-4-7-11)16(24)19-18-21-20-17(26-18)13-8-5-9-25-13/h2-4,6-7,12-13,15H,5,8-10H2,1H3,(H,19,21,24)/t12-,13-,15-/m0/s1
InChIKeyZKIPKPXGNRMWDA-YDHLFZDLSA-N
MW372.45 g/mol
LogP2.55
Rot. Bonds4

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

(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide (PubChem CID 51972771) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide
PubChem CID51972771
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H20N4O3S/c1-22-14(23)10-12(15(22)11-6-3-2-4-7-11)16(24)19-18-21-20-17(26-18)13-8-5-9-25-13/h2-4,6-7,12-13,15H,5,8-10H2,1H3,(H,19,21,24)/t12-,13-,15-/m0/s1
InChIKeyZKIPKPXGNRMWDA-YDHLFZDLSA-N
XLogP2.55
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide
CID 51972769
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
(2S,3S)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 51972346
1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
CID 51973075
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
(3S)-2,2-dimethyl-5-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 97425941
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide (CID 51972771) is (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZKIPKPXGNRMWDA-YDHLFZDLSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22-14(23)10-12(15(22)11-6-3-2-4-7-11)16(24)19-18-21-20-17(26-18)13-8-5-9-25-13/h2-4,6-7,12-13,15H,5,8-10H2,1H3,(H,19,21,24)/t12-,13-,15-/m0/s1.
What are the key properties of (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide?
(2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methyl-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 51972771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).