3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C10H15F2N3OS — CID 114216749

IUPAC3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCC(F)(F)C2)ns1
InChIInChI=1S/C10H15F2N3OS/c1-16-5-4-13-9-14-8(15-17-9)7-2-3-10(11,12)6-7/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyJSNWZNUCIWGZOI-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.50
Rot. Bonds5

About 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 114216749) has the molecular formula C10H15F2N3OS and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID114216749
Molecular FormulaC10H15F2N3OS
Molecular Weight263.31 g/mol
Exact Mass263.09
IUPAC Name3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCC(F)(F)C2)ns1
InChIInChI=1S/C10H15F2N3OS/c1-16-5-4-13-9-14-8(15-17-9)7-2-3-10(11,12)6-7/h7H,2-6H2,1H3,(H,13,14,15)
InChIKeyJSNWZNUCIWGZOI-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-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

N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
3-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103081675
N-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476992
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476993
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 114216749) is 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CCC(F)(F)C2)ns1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JSNWZNUCIWGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3OS/c1-16-5-4-13-9-14-8(15-17-9)7-2-3-10(11,12)6-7/h7H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114216749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).