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

C10H16FN3S — CID 126790333

IUPAC2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(C)(F)C2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3
InChIKeyJXWMNZSDJLLFTH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.17
Rot. Bonds2

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

2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 126790333) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID126790333
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCCC(C)(F)C2)s1
InChIInChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3
InChIKeyJXWMNZSDJLLFTH-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (CID 126790333) is 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(CN2CCCC(C)(F)C2)s1.
What is the InChIKey of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is JXWMNZSDJLLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-8-12-13-9(15-8)6-14-5-3-4-10(2,11)7-14/h3-7H2,1-2H3.
What are the key properties of 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 229.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 126790333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).