1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C17H20FN3OS — CID 30864087

IUPAC1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCc1nnc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyCGVPLFWXUGFMME-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 30864087) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID30864087
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCCc1nnc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3
InChIKeyCGVPLFWXUGFMME-UHFFFAOYSA-N
XLogP3.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 30864087) is 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is CCc1nnc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is CGVPLFWXUGFMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-2-15-19-20-17(23-15)13-7-9-21(10-8-13)16(22)11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 30864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).