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

C14H22N4O3S — CID 108805630

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-3-4-5-11-16-17-14(22-11)15-13(20)10-8-12(19)18(9-10)6-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,20)
InChIKeyOTZCPVKDNQSEPM-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.31
Rot. Bonds8

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108805630) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108805630
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-3-4-5-11-16-17-14(22-11)15-13(20)10-8-12(19)18(9-10)6-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,20)
InChIKeyOTZCPVKDNQSEPM-UHFFFAOYSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
1-cyclohexyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 2987441
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-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6471594
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
N1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N4-((tetrahydrofuran-2-yl)methyl)succinamide
CID 665488
N-{5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-thiadiazol-2-yl}butanamide
CID 976095

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108805630) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1nnc(NC(=O)C2CC(=O)N(CCOC)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OTZCPVKDNQSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-4-5-11-16-17-14(22-11)15-13(20)10-8-12(19)18(9-10)6-7-21-2/h10H,3-9H2,1-2H3,(H,15,17,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108805630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).