2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole

C19H24FN3OS — CID 133451643

IUPAC2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccccc1Cc1nnc(N2CCC(C3CCOCC3)CC2)s1
InChIInChI=1S/C19H24FN3OS/c20-17-4-2-1-3-16(17)13-18-21-22-19(25-18)23-9-5-14(6-10-23)15-7-11-24-12-8-15/h1-4,14-15H,5-13H2
InChIKeyGETTVJQVCLFXTL-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.91
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole

2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133451643) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID133451643
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESFc1ccccc1Cc1nnc(N2CCC(C3CCOCC3)CC2)s1
InChIInChI=1S/C19H24FN3OS/c20-17-4-2-1-3-16(17)13-18-21-22-19(25-18)23-9-5-14(6-10-23)15-7-11-24-12-8-15/h1-4,14-15H,5-13H2
InChIKeyGETTVJQVCLFXTL-UHFFFAOYSA-N
XLogP3.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole (CID 133451643) is 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole is Fc1ccccc1Cc1nnc(N2CCC(C3CCOCC3)CC2)s1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is GETTVJQVCLFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c20-17-4-2-1-3-16(17)13-18-21-22-19(25-18)23-9-5-14(6-10-23)15-7-11-24-12-8-15/h1-4,14-15H,5-13H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole?
2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 361.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-[4-(oxan-4-yl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133451643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).