N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C14H18N4O3S2 — CID 8783335

IUPACN-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCC(=O)N2CCCC2=O)s1)C1CC1
InChIInChI=1S/C14H18N4O3S2/c1-2-10(19)18(9-5-6-9)13-15-16-14(23-13)22-8-12(21)17-7-3-4-11(17)20/h9H,2-8H2,1H3
InChIKeyUWUCDFINMGYJFX-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.68
Rot. Bonds6

About N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 8783335) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID8783335
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCC(=O)N2CCCC2=O)s1)C1CC1
InChIInChI=1S/C14H18N4O3S2/c1-2-10(19)18(9-5-6-9)13-15-16-14(23-13)22-8-12(21)17-7-3-4-11(17)20/h9H,2-8H2,1H3
InChIKeyUWUCDFINMGYJFX-UHFFFAOYSA-N
XLogP1.68
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 8783335) is N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(c1nnc(SCC(=O)N2CCCC2=O)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is UWUCDFINMGYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-2-10(19)18(9-5-6-9)13-15-16-14(23-13)22-8-12(21)17-7-3-4-11(17)20/h9H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 354.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 8783335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).