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

C18H17N3O2S — CID 30864180

IUPAC[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H17N3O2S/c22-18(14-5-2-1-3-6-14)21-10-8-13(9-11-21)16-19-20-17(24-16)15-7-4-12-23-15/h1-7,12-13H,8-11H2
InChIKeyDNKFQPWIIGRGGB-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.82
Rot. Bonds3

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

[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 30864180) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID30864180
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H17N3O2S/c22-18(14-5-2-1-3-6-14)21-10-8-13(9-11-21)16-19-20-17(24-16)15-7-4-12-23-15/h1-7,12-13H,8-11H2
InChIKeyDNKFQPWIIGRGGB-UHFFFAOYSA-N
XLogP3.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone (CID 30864180) is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is DNKFQPWIIGRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(14-5-2-1-3-6-14)21-10-8-13(9-11-21)16-19-20-17(24-16)15-7-4-12-23-15/h1-7,12-13H,8-11H2.
What are the key properties of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone?
[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 339.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 30864180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).