3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride

C16H19ClF3N3OS — CID 120611631

IUPAC3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C16H18F3N3OS.ClH/c1-2-12(15-22-13(9-24-15)16(17,18)19)21-14(23)8-7-10-5-3-4-6-11(10)20;/h3-6,9,12H,2,7-8,20H2,1H3,(H,21,23);1H
InChIKeyWZMDWQBRNBVCAC-UHFFFAOYSA-N
MW393.86 g/mol
LogP4.37
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride (PubChem CID 120611631) has the molecular formula C16H19ClF3N3OS and a molecular weight of 393.86 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
PubChem CID120611631
Molecular FormulaC16H19ClF3N3OS
Molecular Weight393.86 g/mol
Exact Mass393.09
IUPAC Name3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C16H18F3N3OS.ClH/c1-2-12(15-22-13(9-24-15)16(17,18)19)21-14(23)8-7-10-5-3-4-6-11(10)20;/h3-6,9,12H,2,7-8,20H2,1H3,(H,21,23);1H
InChIKeyWZMDWQBRNBVCAC-UHFFFAOYSA-N
XLogP4.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906732
3-(2-aminophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613359
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
CID 120637734
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
CID 120611695
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride (CID 120611631) is 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride is CCC(NC(=O)CCc1ccccc1N)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride?
The InChIKey is WZMDWQBRNBVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS.ClH/c1-2-12(15-22-13(9-24-15)16(17,18)19)21-14(23)8-7-10-5-3-4-6-11(10)20;/h3-6,9,12H,2,7-8,20H2,1H3,(H,21,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride has a molecular weight of 393.86 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride is sourced from PubChem (CID 120611631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).