N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H22N4O2S — CID 2972860

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-4-5-15-20-21-18(25-15)19-17(24)13-10-16(23)22(11-13)14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,21,24)
InChIKeyNYFGYZUBBRKTRX-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.18
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2972860) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2972860
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-4-5-15-20-21-18(25-15)19-17(24)13-10-16(23)22(11-13)14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,21,24)
InChIKeyNYFGYZUBBRKTRX-UHFFFAOYSA-N
XLogP3.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 944946
Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
2-(5-Amino-[1,3,4]thiadiazol-2-yl)-N-p-tolyl-acetamide
CID 929474
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpropanoylamino)benzamide
CID 1091333
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6471275
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497453
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 16551062
1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24818097
N-(4-ethylphenyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 941605
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 650320

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2972860) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NYFGYZUBBRKTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-4-5-15-20-21-18(25-15)19-17(24)13-10-16(23)22(11-13)14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,21,24).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2972860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).