N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline

C17H15FN2S — CID 43407810

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H15FN2S/c1-12-3-2-4-15(9-12)19-10-16-11-21-17(20-16)13-5-7-14(18)8-6-13/h2-9,11,19H,10H2,1H3
InChIKeySNEOPGDDBBCUJW-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.87
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline (PubChem CID 43407810) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
PubChem CID43407810
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H15FN2S/c1-12-3-2-4-15(9-12)19-10-16-11-21-17(20-16)13-5-7-14(18)8-6-13/h2-9,11,19H,10H2,1H3
InChIKeySNEOPGDDBBCUJW-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline 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-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 43407819
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
CID 43628520
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylpropanoate
CID 43726131
3-methylsulfonyl-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 75413450
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline (CID 43407810) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline is Cc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?
The InChIKey is SNEOPGDDBBCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-12-3-2-4-15(9-12)19-10-16-11-21-17(20-16)13-5-7-14(18)8-6-13/h2-9,11,19H,10H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline has a molecular weight of 298.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline is sourced from PubChem (CID 43407810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).