4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

C10H8ClN3O2S — CID 168690055

IUPAC4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nnc(-c2ccco2)s1
InChIInChI=1S/C10H8ClN3O2S/c11-6-4-8(15)14(5-6)10-13-12-9(17-10)7-2-1-3-16-7/h1-3,6H,4-5H2
InChIKeyUOWRMAVREJODRO-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.14
Rot. Bonds2

About 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one

4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (PubChem CID 168690055) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
PubChem CID168690055
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Name4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nnc(-c2ccco2)s1
InChIInChI=1S/C10H8ClN3O2S/c11-6-4-8(15)14(5-6)10-13-12-9(17-10)7-2-1-3-16-7/h1-3,6H,4-5H2
InChIKeyUOWRMAVREJODRO-UHFFFAOYSA-N
XLogP2.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168687429
ethyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3,4-thiadiazole-2-carboxylate
CID 168687504
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548
S-[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl] ethanethioate
CID 168707483
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210
4-(chloromethyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168509727
1-(5-tert-butyl-1,3-thiazol-2-yl)-4-chloropyrrolidin-2-one
CID 168687260
4-chloro-1-(5-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168689970
4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168689640
4-[2-(furan-2-yl)imidazol-1-yl]-1-phenylpyrrolidin-2-one
CID 156587008
[1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677780
4-chloro-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168689921

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one (CID 168690055) is 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is O=C1CC(Cl)CN1c1nnc(-c2ccco2)s1.
What is the InChIKey of 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is UOWRMAVREJODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-6-4-8(15)14(5-6)10-13-12-9(17-10)7-2-1-3-16-7/h1-3,6H,4-5H2.
What are the key properties of 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one?
4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 269.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).