4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

C14H20N4O4S2 — CID 155497205

IUPAC4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCCc1nnc(N2CC(C(=O)N3CCS(=O)(=O)CC3)CC2=O)s1
InChIInChI=1S/C14H20N4O4S2/c1-2-3-11-15-16-14(23-11)18-9-10(8-12(18)19)13(20)17-4-6-24(21,22)7-5-17/h10H,2-9H2,1H3
InChIKeyFBTLEXUJLWBNOU-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.10
Rot. Bonds4

About 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (PubChem CID 155497205) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
PubChem CID155497205
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
SMILESCCCc1nnc(N2CC(C(=O)N3CCS(=O)(=O)CC3)CC2=O)s1
InChIInChI=1S/C14H20N4O4S2/c1-2-3-11-15-16-14(23-11)18-9-10(8-12(18)19)13(20)17-4-6-24(21,22)7-5-17/h10H,2-9H2,1H3
InChIKeyFBTLEXUJLWBNOU-UHFFFAOYSA-N
XLogP0.10
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 155509761
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154821567
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 155508726
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154819627
1-cyclohexyl-4-[1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-2-one
CID 154564044
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 155492947
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 155498369
4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 154564819
1-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662078

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one (CID 155497205) is 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is CCCc1nnc(N2CC(C(=O)N3CCS(=O)(=O)CC3)CC2=O)s1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
The InChIKey is FBTLEXUJLWBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-2-3-11-15-16-14(23-11)18-9-10(8-12(18)19)13(20)17-4-6-24(21,22)7-5-17/h10H,2-9H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one?
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 155497205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).