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

C18H15F2N3O2S — CID 30864187

IUPAC(3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H15F2N3O2S/c19-13-4-3-12(10-14(13)20)18(24)23-7-5-11(6-8-23)16-21-22-17(26-16)15-2-1-9-25-15/h1-4,9-11H,5-8H2
InChIKeyAJNONIXKQQEELG-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.10
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 30864187) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID30864187
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC Name(3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H15F2N3O2S/c19-13-4-3-12(10-14(13)20)18(24)23-7-5-11(6-8-23)16-21-22-17(26-16)15-2-1-9-25-15/h1-4,9-11H,5-8H2
InChIKeyAJNONIXKQQEELG-UHFFFAOYSA-N
XLogP4.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)-7-phenylheptan-1-one
CID 24950524
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
(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
(2-Fluorophenyl)(4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44062048
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
(2-Furyl){4-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}methanone
CID 30864166
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 30864171

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 30864187) is (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AJNONIXKQQEELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c19-13-4-3-12(10-14(13)20)18(24)23-7-5-11(6-8-23)16-21-22-17(26-16)15-2-1-9-25-15/h1-4,9-11H,5-8H2.
What are the key properties of (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 375.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 30864187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).