1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C16H26N4O2S — CID 6497365

IUPAC1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C16H26N4O2S/c1-6-10(7-2)14-18-19-15(23-14)17-13(22)11-8-12(21)20(9-11)16(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,19,22)
InChIKeyMUOOKCSTMQMGCG-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.03
Rot. Bonds5

About 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 6497365) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID6497365
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C16H26N4O2S/c1-6-10(7-2)14-18-19-15(23-14)17-13(22)11-8-12(21)20(9-11)16(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,19,22)
InChIKeyMUOOKCSTMQMGCG-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 943323
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6497389
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1120943
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
1-cyclopentyl-5-oxo-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 6497393
1-cyclopentyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497395
1-cyclopentyl-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 663753
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3547284

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 6497365) is 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCC(CC)c1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1.
What is the InChIKey of 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is MUOOKCSTMQMGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-6-10(7-2)14-18-19-15(23-14)17-13(22)11-8-12(21)20(9-11)16(3,4)5/h10-11H,6-9H2,1-5H3,(H,17,19,22).
What are the key properties of 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).