2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

C12H15N3O3S2 — CID 30864266

IUPAC2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C12H15N3O3S2/c1-20(16,17)15-6-4-9(5-7-15)11-13-14-12(19-11)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3
InChIKeyRUJCTSPIFIGEKJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.94
Rot. Bonds3

About 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 30864266) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID30864266
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C12H15N3O3S2/c1-20(16,17)15-6-4-9(5-7-15)11-13-14-12(19-11)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3
InChIKeyRUJCTSPIFIGEKJ-UHFFFAOYSA-N
XLogP1.94
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-((5-Fluoro-2-methoxyphenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864263
1-{4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}-1-ethanone
CID 30864160
Cyclopropyl(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864163
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 30864171
1-(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenoxyethanone
CID 30864190
Ethyl 4-(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-4-oxobutanoate
CID 30864196
2-(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864274
2-(1-((2,5-Dimethoxyphenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864277
2-(1-((2,5-Dimethylphenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864280
1-(2-((4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)sulfonyl)ethyl)piperidine-2,6-dione
CID 30864283
2-(Furan-2-yl)-5-(1-((2-methoxy-5-methylphenyl)sulfonyl)piperidin-4-yl)-1,3,4-thiadiazole
CID 30864286
2-(Furan-2-yl)-5-(1-(propylsulfonyl)piperidin-4-yl)-1,3,4-thiadiazole
CID 30864291

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole (CID 30864266) is 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is CS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is RUJCTSPIFIGEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-20(16,17)15-6-4-9(5-7-15)11-13-14-12(19-11)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole?
2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 313.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30864266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).