2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride

C15H17ClF3N3OS — CID 84588637

IUPAC2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-21(8-13-20-12(9-23-13)15(16,17)18)14(22)11(19)7-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,19H2,1H3;1H
InChIKeyMWGYKUVJFBNXKN-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.11
Rot. Bonds5

About 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride

2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride (PubChem CID 84588637) has the molecular formula C15H17ClF3N3OS and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
PubChem CID84588637
Molecular FormulaC15H17ClF3N3OS
Molecular Weight379.84 g/mol
Exact Mass379.07
IUPAC Name2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-21(8-13-20-12(9-23-13)15(16,17)18)14(22)11(19)7-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,19H2,1H3;1H
InChIKeyMWGYKUVJFBNXKN-UHFFFAOYSA-N
XLogP3.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119896831
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 122144134
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride (CID 84588637) is 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride is CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is MWGYKUVJFBNXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS.ClH/c1-21(8-13-20-12(9-23-13)15(16,17)18)14(22)11(19)7-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,19H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride?
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 84588637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).