(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C20H25N5O3S — CID 92736848

IUPAC(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C20H25N5O3S/c1-2-28-16-9-4-3-7-14(16)13-21-18(27)15-8-5-11-24(15)19-22-23-20(29-19)25-12-6-10-17(25)26/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3,(H,21,27)/t15-/m0/s1
InChIKeyUYGJOTRSNVYLDS-HNNXBMFYSA-N
MW415.52 g/mol
LogP2.35
Rot. Bonds7

About (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 92736848) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID92736848
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C20H25N5O3S/c1-2-28-16-9-4-3-7-14(16)13-21-18(27)15-8-5-11-24(15)19-22-23-20(29-19)25-12-6-10-17(25)26/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3,(H,21,27)/t15-/m0/s1
InChIKeyUYGJOTRSNVYLDS-HNNXBMFYSA-N
XLogP2.35
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 22513427
N-(4-ethoxyphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 6625776
(2S)-N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750446
N-[(2,3-Dimethoxyphenyl)methyl]-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 22513626
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344968
N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344974
N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513424
1-[5-(2-Oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 22513428
N-[(2-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513484
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 22513519
1-[5-(2-Oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide
CID 22513520
N-(4-ethoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide
CID 22513523

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 92736848) is (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CCOc1ccccc1CNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UYGJOTRSNVYLDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-2-28-16-9-4-3-7-14(16)13-21-18(27)15-8-5-11-24(15)19-22-23-20(29-19)25-12-6-10-17(25)26/h3-4,7,9,15H,2,5-6,8,10-13H2,1H3,(H,21,27)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92736848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).