3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride

C15H17ClF3N3OS — CID 119698306

IUPAC3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-9(19)5-13(22)21-14-20-8-12(23-14)7-10-3-2-4-11(6-10)15(16,17)18;/h2-4,6,8-9H,5,7,19H2,1H3,(H,20,21,22);1H
InChIKeyBJXVRZUGUKMIFP-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.85
Rot. Bonds5

About 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride

3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride (PubChem CID 119698306) has the molecular formula C15H17ClF3N3OS and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
PubChem CID119698306
Molecular FormulaC15H17ClF3N3OS
Molecular Weight379.84 g/mol
Exact Mass379.07
IUPAC Name3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl
InChIInChI=1S/C15H16F3N3OS.ClH/c1-9(19)5-13(22)21-14-20-8-12(23-14)7-10-3-2-4-11(6-10)15(16,17)18;/h2-4,6,8-9H,5,7,19H2,1H3,(H,20,21,22);1H
InChIKeyBJXVRZUGUKMIFP-UHFFFAOYSA-N
XLogP3.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
methyl 3-[[2-(3-aminobutanoylamino)-1,3-thiazol-5-yl]methyl]benzoate
CID 119766767
4-oxo-4-phenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 37038090
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
2-(4-acetylphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836246
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 24586323
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
2,3-dimethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 24575784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride (CID 119698306) is 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.Cl.
What is the InChIKey of 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
The InChIKey is BJXVRZUGUKMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS.ClH/c1-9(19)5-13(22)21-14-20-8-12(23-14)7-10-3-2-4-11(6-10)15(16,17)18;/h2-4,6,8-9H,5,7,19H2,1H3,(H,20,21,22);1H.
What are the key properties of 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride?
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119698306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).