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

C10H15ClF3N3O2S — CID 120592709

IUPAC4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3O2S.ClH/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H
InChIKeyGGDXINNCALQXFI-UHFFFAOYSA-N
MW333.76 g/mol
LogP1.56
Rot. Bonds6

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

4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (PubChem CID 120592709) has the molecular formula C10H15ClF3N3O2S and a molecular weight of 333.76 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
PubChem CID120592709
Molecular FormulaC10H15ClF3N3O2S
Molecular Weight333.76 g/mol
Exact Mass333.05
IUPAC Name4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3O2S.ClH/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H
InChIKeyGGDXINNCALQXFI-UHFFFAOYSA-N
XLogP1.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
1-(3-ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596918
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
1-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 119328993
1-[(1-hydroxycyclohexyl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455786

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (CID 120592709) is 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is COC(CN)CC(=O)NCc1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The InChIKey is GGDXINNCALQXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S.ClH/c1-18-6(3-14)2-8(17)15-4-9-16-7(5-19-9)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H.
What are the key properties of 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride has a molecular weight of 333.76 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120592709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).