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

C8H11ClFN3S — CID 164657801

IUPAC2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESFC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C8H11ClFN3S/c9-8-12-11-7(14-8)5-13-3-1-6(10)2-4-13/h6H,1-5H2
InChIKeyNGSCBNOZCZIQFI-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.13
Rot. Bonds2

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

2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 164657801) has the molecular formula C8H11ClFN3S and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID164657801
Molecular FormulaC8H11ClFN3S
Molecular Weight235.71 g/mol
Exact Mass235.03
IUPAC Name2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole
SMILESFC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C8H11ClFN3S/c9-8-12-11-7(14-8)5-13-3-1-6(10)2-4-13/h6H,1-5H2
InChIKeyNGSCBNOZCZIQFI-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole (CID 164657801) is 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole is FC1CCN(Cc2nnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is NGSCBNOZCZIQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3S/c9-8-12-11-7(14-8)5-13-3-1-6(10)2-4-13/h6H,1-5H2.
What are the key properties of 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 235.71 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluoropiperidin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 164657801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).