N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C17H16FN3OS — CID 133429222

IUPACN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(COc2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C17H16FN3OS/c1-12-19-17(23-21-12)20-15(13-7-3-2-4-8-13)11-22-16-10-6-5-9-14(16)18/h2-10,15H,11H2,1H3,(H,19,20,21)
InChIKeySZCBRBDSPPYXDK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.22
Rot. Bonds6

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

N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133429222) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133429222
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(COc2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C17H16FN3OS/c1-12-19-17(23-21-12)20-15(13-7-3-2-4-8-13)11-22-16-10-6-5-9-14(16)18/h2-10,15H,11H2,1H3,(H,19,20,21)
InChIKeySZCBRBDSPPYXDK-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-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

3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52621902
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
CID 65268088
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea
CID 51960042
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133429222) is N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(COc2ccccc2F)c2ccccc2)n1.
What is the InChIKey of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SZCBRBDSPPYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12-19-17(23-21-12)20-15(13-7-3-2-4-8-13)11-22-16-10-6-5-9-14(16)18/h2-10,15H,11H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 329.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).