N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline

C14H10ClF3N4S — CID 168583126

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cnc(Cl)s2)ccc1-n1ccnc1
InChIInChI=1S/C14H10ClF3N4S/c15-13-21-7-10(23-13)6-20-9-1-2-12(22-4-3-19-8-22)11(5-9)14(16,17)18/h1-5,7-8,20H,6H2
InChIKeyFGIYXELWXDAAEX-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.61
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline (PubChem CID 168583126) has the molecular formula C14H10ClF3N4S and a molecular weight of 358.78 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline
PubChem CID168583126
Molecular FormulaC14H10ClF3N4S
Molecular Weight358.78 g/mol
Exact Mass358.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cnc(Cl)s2)ccc1-n1ccnc1
InChIInChI=1S/C14H10ClF3N4S/c15-13-21-7-10(23-13)6-20-9-1-2-12(22-4-3-19-8-22)11(5-9)14(16,17)18/h1-5,7-8,20H,6H2
InChIKeyFGIYXELWXDAAEX-UHFFFAOYSA-N
XLogP4.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline 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-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
2-benzyl-7-(4-chloroimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
CID 127025655
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(4-piperidin-1-ylphenyl)ethanamine
CID 47060553
N-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-4-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 57390296
2-[(4-fluorophenyl)methyl]-7-(4-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
CID 127028409
4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(4-methylimidazol-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58911014
2-[(4-fluorophenyl)methyl]-7-(5-methylimidazol-1-yl)-5,10-dihydro-4H-[1,3]thiazolo[4,5-b][1]benzazepine
CID 127028410
N-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-2,4-dimethylaniline
CID 3836478
N-(thiazol-2-yl)-2-((1-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)thio)acetamide
CID 8487383
2-[(Z)-[6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57395513
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 71918508

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline (CID 168583126) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2cnc(Cl)s2)ccc1-n1ccnc1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline?
The InChIKey is FGIYXELWXDAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4S/c15-13-21-7-10(23-13)6-20-9-1-2-12(22-4-3-19-8-22)11(5-9)14(16,17)18/h1-5,7-8,20H,6H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline has a molecular weight of 358.78 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-imidazol-1-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 168583126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).