N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C19H22FN5O2S — CID 46344989

IUPACN-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C19H22FN5O2S/c20-14-8-6-13(7-9-14)12-21-17(27)15-4-3-11-24(15)18-22-23-19(28-18)25-10-2-1-5-16(25)26/h6-9,15H,1-5,10-12H2,(H,21,27)
InChIKeyCNJQCFDZRBULRB-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46344989) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID46344989
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C19H22FN5O2S/c20-14-8-6-13(7-9-14)12-21-17(27)15-4-3-11-24(15)18-22-23-19(28-18)25-10-2-1-5-16(25)26/h6-9,15H,1-5,10-12H2,(H,21,27)
InChIKeyCNJQCFDZRBULRB-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(4-methylphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736824
(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 92736855
N-[(4-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271444
N-[2-(4-chlorophenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271420
(2R)-N-[(2-bromophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736847
(2S)-N-(3-methylbutyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750444
N-(4-ethylphenyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 22513546
N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46271434
(3R)-N-[(4-methylphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92710814
N-[(4-chlorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 20958277
(3R)-N-[(4-ethylphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92716296
N-[(4-fluorophenyl)methyl]-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958250

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 46344989) is N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN1c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is CNJQCFDZRBULRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c20-14-8-6-13(7-9-14)12-21-17(27)15-4-3-11-24(15)18-22-23-19(28-18)25-10-2-1-5-16(25)26/h6-9,15H,1-5,10-12H2,(H,21,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46344989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).