4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C12H16N4O4S — CID 154821567

IUPAC4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CC(O)C3)CC2=O)s1
InChIInChI=1S/C12H16N4O4S/c1-20-6-9-13-14-12(21-9)16-3-7(2-10(16)18)11(19)15-4-8(17)5-15/h7-8,17H,2-6H2,1H3
InChIKeyLTWIXJSLVFWRTA-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.76
Rot. Bonds4

About 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 154821567) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID154821567
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESCOCc1nnc(N2CC(C(=O)N3CC(O)C3)CC2=O)s1
InChIInChI=1S/C12H16N4O4S/c1-20-6-9-13-14-12(21-9)16-3-7(2-10(16)18)11(19)15-4-8(17)5-15/h7-8,17H,2-6H2,1H3
InChIKeyLTWIXJSLVFWRTA-UHFFFAOYSA-N
XLogP-0.76
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 155508726
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155497205
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-methylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 155492947
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
methyl 1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 168692984
4-[1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 154563661
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154818861
4-[5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 155509761
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 154817834
formic acid;1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 163333990

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 154821567) is 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is COCc1nnc(N2CC(C(=O)N3CC(O)C3)CC2=O)s1.
What is the InChIKey of 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is LTWIXJSLVFWRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-20-6-9-13-14-12(21-9)16-3-7(2-10(16)18)11(19)15-4-8(17)5-15/h7-8,17H,2-6H2,1H3.
What are the key properties of 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 312.35 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidine-1-carbonyl)-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 154821567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).