(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

C18H16ClN3O2S — CID 30864178

IUPAC(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H16ClN3O2S/c19-14-5-2-1-4-13(14)18(23)22-9-7-12(8-10-22)16-20-21-17(25-16)15-6-3-11-24-15/h1-6,11-12H,7-10H2
InChIKeyCPLAJRIAENGZFN-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.47
Rot. Bonds3

About (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 30864178) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID30864178
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H16ClN3O2S/c19-14-5-2-1-4-13(14)18(23)22-9-7-12(8-10-22)16-20-21-17(25-16)15-6-3-11-24-15/h1-6,11-12H,7-10H2
InChIKeyCPLAJRIAENGZFN-UHFFFAOYSA-N
XLogP4.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-N-methylmethanamine
CID 145968589
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 30864174
(2,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864184
(3,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864187
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 30864192
N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864365
1-(4-Chlorophenyl)-2-(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)ethanone
CID 49675919
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)(phenyl)methanone
CID 30864180
1-(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenoxyethanone
CID 30864190
2-(1-((4-Chlorophenyl)sulfonyl)piperidin-4-yl)-5-(furan-2-yl)-1,3,4-thiadiazole
CID 30864274

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 30864178) is (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is CPLAJRIAENGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-14-5-2-1-4-13(14)18(23)22-9-7-12(8-10-22)16-20-21-17(25-16)15-6-3-11-24-15/h1-6,11-12H,7-10H2.
What are the key properties of (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 373.87 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 30864178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).