N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H21FN4O2S — CID 45491265

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O2S/c1-18(2,3)16-21-22-17(26-16)20-15(25)12-8-14(24)23(10-12)9-11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3,(H,20,22,25)
InChIKeyQFOHYZGMXLDZRU-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.96
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 45491265) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID45491265
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O2S/c1-18(2,3)16-21-22-17(26-16)20-15(25)12-8-14(24)23(10-12)9-11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3,(H,20,22,25)
InChIKeyQFOHYZGMXLDZRU-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677
(3S)-1-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399422
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 167019906
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4785258
(2R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 95786845
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497453
(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7337096
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497606
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 45491265) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1nnc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QFOHYZGMXLDZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-18(2,3)16-21-22-17(26-16)20-15(25)12-8-14(24)23(10-12)9-11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3,(H,20,22,25).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).