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

C23H34FN3OS — CID 25307851

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H34FN3OS/c1-18(2)22-17-29-23(25-22)16-27(12-13-28-3)14-19-8-10-26(11-9-19)15-20-6-4-5-7-21(20)24/h4-7,17-19H,8-16H2,1-3H3
InChIKeyCSLOXDUNVMHXOE-UHFFFAOYSA-N
MW419.61 g/mol
LogP4.77
Rot. Bonds10

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 25307851) has the molecular formula C23H34FN3OS and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID25307851
Molecular FormulaC23H34FN3OS
Molecular Weight419.61 g/mol
Exact Mass419.24
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H34FN3OS/c1-18(2)22-17-29-23(25-22)16-27(12-13-28-3)14-19-8-10-26(11-9-19)15-20-6-4-5-7-21(20)24/h4-7,17-19H,8-16H2,1-3H3
InChIKeyCSLOXDUNVMHXOE-UHFFFAOYSA-N
XLogP4.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]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

1-Benzyl-4-(2-phenyl-thiazol-4-ylmethyl)-piperazine
CID 12050196
1-[(4-Phenyl-1,3-thiazol-2-yl)methyl]piperidine
CID 236968
4-({[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thio}acetyl)morpholine
CID 1301658
1-(2,6-Dimethylmorpholin-4-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
CID 9551920
2-{1-(3-Methylbutyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16187236
2-{1-(4-Fluorobenzyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16187446
2-{1-(3-Methyl-2-buten-1-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16191193
2-{1-Isopropyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16191265
2-{1-(4-Fluorobenzyl)-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-2-piperazinyl}ethanol
CID 16192314
2-{1-Benzyl-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16191047
(Z)-3-hydroxy-4-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
CID 135415490
2-[4-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188282

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 25307851) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is COCCN(Cc1nc(C(C)C)cs1)CC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is CSLOXDUNVMHXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3OS/c1-18(2)22-17-29-23(25-22)16-27(12-13-28-3)14-19-8-10-26(11-9-19)15-20-6-4-5-7-21(20)24/h4-7,17-19H,8-16H2,1-3H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 419.61 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 25307851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).