N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H20N4O2S — CID 4785258

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3nnc(C4CC4)s3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2S/c1-11-2-4-12(5-3-11)9-22-10-14(8-15(22)23)16(24)19-18-21-20-17(25-18)13-6-7-13/h2-5,13-14H,6-10H2,1H3,(H,19,21,24)
InChIKeyBMVFFUUMHQGKMG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.71
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4785258) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4785258
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3nnc(C4CC4)s3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2S/c1-11-2-4-12(5-3-11)9-22-10-14(8-15(22)23)16(24)19-18-21-20-17(25-18)13-6-7-13/h2-5,13-14H,6-10H2,1H3,(H,19,21,24)
InChIKeyBMVFFUUMHQGKMG-UHFFFAOYSA-N
XLogP2.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7873603
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 45493742
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
1-[(4-chlorophenyl)methyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 45494970
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9389767
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45491265
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3S)-1-[(4-chlorophenyl)methyl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 39039277
(3S)-1-[(4-methylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25347661
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
(3R)-1-[(4-methylphenyl)methyl]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 129397090

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4785258) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3nnc(C4CC4)s3)CC2=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BMVFFUUMHQGKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-2-4-12(5-3-11)9-22-10-14(8-15(22)23)16(24)19-18-21-20-17(25-18)13-6-7-13/h2-5,13-14H,6-10H2,1H3,(H,19,21,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4785258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).