N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C17H23FN2OS — CID 50948230

IUPACN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)Cc1ccccc1F
InChIInChI=1S/C17H23FN2OS/c1-13(2)16-12-22-17(19-16)11-20(8-9-21-3)10-14-6-4-5-7-15(14)18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyHCMJFWWWQPWOHW-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.05
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 50948230) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID50948230
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)Cc1ccccc1F
InChIInChI=1S/C17H23FN2OS/c1-13(2)16-12-22-17(19-16)11-20(8-9-21-3)10-14-6-4-5-7-15(14)18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyHCMJFWWWQPWOHW-UHFFFAOYSA-N
XLogP4.05
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine 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

2-{1-(3-Methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16187236
2-{1-(4-Fluorobenzyl)-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16192314
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 95338888
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
(Z)-4-[bis(3-methylbutyl)amino]-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
CID 135501987
2-{1-Benzyl-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16191047
2-{1-(3,4-Difluorobenzyl)-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16188400
2-[4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190160
2-[4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190411
2-[4-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16191497
2-(1-(2,2-Dimethylpropyl)-4-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazin-2-yl)ethanol
CID 23723905
1-[(4-fluorophenyl)methyl]-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100626162

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 50948230) is N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is COCCN(Cc1nc(C(C)C)cs1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is HCMJFWWWQPWOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c1-13(2)16-12-22-17(19-16)11-20(8-9-21-3)10-14-6-4-5-7-15(14)18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 322.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 50948230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).