2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole

C9H14FN3S — CID 164661749

IUPAC2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CC2(F)CCNCC2)s1
InChIInChI=1S/C9H14FN3S/c1-7-12-13-8(14-7)6-9(10)2-4-11-5-3-9/h11H,2-6H2,1H3
InChIKeyLYGBENXROBKQIF-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.48
Rot. Bonds2

About 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole

2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 164661749) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID164661749
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CC2(F)CCNCC2)s1
InChIInChI=1S/C9H14FN3S/c1-7-12-13-8(14-7)6-9(10)2-4-11-5-3-9/h11H,2-6H2,1H3
InChIKeyLYGBENXROBKQIF-UHFFFAOYSA-N
XLogP1.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole (CID 164661749) is 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CC2(F)CCNCC2)s1.
What is the InChIKey of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is LYGBENXROBKQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-7-12-13-8(14-7)6-9(10)2-4-11-5-3-9/h11H,2-6H2,1H3.
What are the key properties of 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 215.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropiperidin-4-yl)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 164661749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).