2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide

C16H18F3N3O3S — CID 119741467

IUPAC2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H18F3N3O3S/c1-22(15(24)12-9-26-14(6-20)21-12)7-10(23)8-25-13-5-3-2-4-11(13)16(17,18)19/h2-5,9-10,23H,6-8,20H2,1H3
InChIKeyNNKRYJMJFSDCQZ-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.13
Rot. Bonds7

About 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 119741467) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID119741467
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(O)COc1ccccc1C(F)(F)F)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H18F3N3O3S/c1-22(15(24)12-9-26-14(6-20)21-12)7-10(23)8-25-13-5-3-2-4-11(13)16(17,18)19/h2-5,9-10,23H,6-8,20H2,1H3
InChIKeyNNKRYJMJFSDCQZ-UHFFFAOYSA-N
XLogP2.13
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
2-(aminomethyl)-N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119749056
(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
2-(aminomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66376486
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 159339368
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
2-(aminomethyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 119682088
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
3-cyclohexyl-1-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 52502216
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 119741467) is 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(O)COc1ccccc1C(F)(F)F)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NNKRYJMJFSDCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-22(15(24)12-9-26-14(6-20)21-12)7-10(23)8-25-13-5-3-2-4-11(13)16(17,18)19/h2-5,9-10,23H,6-8,20H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119741467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).