5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

C14H17FN4OS — CID 146040538

IUPAC5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCCC(COc3ccc(F)cc3)C2)s1
InChIInChI=1S/C14H17FN4OS/c15-11-3-5-12(6-4-11)20-9-10-2-1-7-19(8-10)14-18-17-13(16)21-14/h3-6,10H,1-2,7-9H2,(H2,16,17)
InChIKeyHJSLNDAMULQBSL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.55
Rot. Bonds4

About 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 146040538) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID146040538
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC Name5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCCC(COc3ccc(F)cc3)C2)s1
InChIInChI=1S/C14H17FN4OS/c15-11-3-5-12(6-4-11)20-9-10-2-1-7-19(8-10)14-18-17-13(16)21-14/h3-6,10H,1-2,7-9H2,(H2,16,17)
InChIKeyHJSLNDAMULQBSL-UHFFFAOYSA-N
XLogP2.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146041827
3-[(4-fluorophenoxy)methyl]-1-methanidylpiperidine
CID 123811801
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
2-(5-aminotetrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 91842144
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95862503
[2-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97453459
6-fluoro-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705365
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 97271520
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
CID 70717549

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (CID 146040538) is 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(N2CCCC(COc3ccc(F)cc3)C2)s1.
What is the InChIKey of 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HJSLNDAMULQBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c15-11-3-5-12(6-4-11)20-9-10-2-1-7-19(8-10)14-18-17-13(16)21-14/h3-6,10H,1-2,7-9H2,(H2,16,17).
What are the key properties of 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 308.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146040538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).