N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

C18H17F3N4S — CID 177379304

IUPACN-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCN(C)c1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C18H17F3N4S/c1-25(2)14-5-3-12(4-6-14)17-24-11-15(26-17)10-23-13-7-8-22-16(9-13)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyGZEVFAIRQFAEJH-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.90
Rot. Bonds5

About N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine

N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 177379304) has the molecular formula C18H17F3N4S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID177379304
Molecular FormulaC18H17F3N4S
Molecular Weight378.42 g/mol
Exact Mass378.11
IUPAC NameN-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCN(C)c1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1
InChIInChI=1S/C18H17F3N4S/c1-25(2)14-5-3-12(4-6-14)17-24-11-15(26-17)10-23-13-7-8-22-16(9-13)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyGZEVFAIRQFAEJH-UHFFFAOYSA-N
XLogP4.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-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

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 5306660
2-Ethyl-5-(2-fluoro-4-pyridyl)-4-(3-methylphenyl)-1,3-thiazole
CID 9900885
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
4-(4-Phenyl-1,3-thiazol-2-yl)-2-propylpyridine
CID 619958
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 138671105
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539287

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine (CID 177379304) is N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is CN(C)c1ccc(-c2ncc(CNc3ccnc(C(F)(F)F)c3)s2)cc1.
What is the InChIKey of N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is GZEVFAIRQFAEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4S/c1-25(2)14-5-3-12(4-6-14)17-24-11-15(26-17)10-23-13-7-8-22-16(9-13)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 378.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 177379304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).