5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide

C16H26N4O3S — CID 155506100

IUPAC5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide
SMILESCCCOCCCNC(=O)C1CC(=O)N(c2nnc(C(C)C)s2)C1
InChIInChI=1S/C16H26N4O3S/c1-4-7-23-8-5-6-17-14(22)12-9-13(21)20(10-12)16-19-18-15(24-16)11(2)3/h11-12H,4-10H2,1-3H3,(H,17,22)
InChIKeyFKPGATOGYMBOGT-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.95
Rot. Bonds9

About 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide

5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide (PubChem CID 155506100) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide
PubChem CID155506100
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide
SMILESCCCOCCCNC(=O)C1CC(=O)N(c2nnc(C(C)C)s2)C1
InChIInChI=1S/C16H26N4O3S/c1-4-7-23-8-5-6-17-14(22)12-9-13(21)20(10-12)16-19-18-15(24-16)11(2)3/h11-12H,4-10H2,1-3H3,(H,17,22)
InChIKeyFKPGATOGYMBOGT-UHFFFAOYSA-N
XLogP1.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154566271
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499154
N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568494
N-(4-hydroxycyclohexyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568327
N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154563569
N-(3-butoxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791044
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499730
(3S)-1-(4-bromophenyl)-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 25473658
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312
N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46109954
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134029726
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154819627

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide (CID 155506100) is 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide is CCCOCCCNC(=O)C1CC(=O)N(c2nnc(C(C)C)s2)C1.
What is the InChIKey of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is FKPGATOGYMBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-7-23-8-5-6-17-14(22)12-9-13(21)20(10-12)16-19-18-15(24-16)11(2)3/h11-12H,4-10H2,1-3H3,(H,17,22).
What are the key properties of 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide?
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155506100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).