N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

C16H22Cl2FN3OS — CID 119523102

IUPACN-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-16(2,10-18)20-14(21)8-13-9-22-15(19-13)7-11-3-5-12(17)6-4-11;;/h3-6,9H,7-8,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyMVVHFWLECQQRAX-UHFFFAOYSA-N
MW394.34 g/mol
LogP3.11
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119523102) has the molecular formula C16H22Cl2FN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119523102
Molecular FormulaC16H22Cl2FN3OS
Molecular Weight394.34 g/mol
Exact Mass393.08
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCC(C)(CN)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/C16H20FN3OS.2ClH/c1-16(2,10-18)20-14(21)8-13-9-22-15(19-13)7-11-3-5-12(17)6-4-11;;/h3-6,9H,7-8,10,18H2,1-2H3,(H,20,21);2*1H
InChIKeyMVVHFWLECQQRAX-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 97337275
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 110907848
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119521585
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 48673152
(2R)-2-[[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 119368491
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
N-(2-amino-1-cyclohexylethyl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119590482
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369833

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119523102) is N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC(C)(CN)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is MVVHFWLECQQRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS.2ClH/c1-16(2,10-18)20-14(21)8-13-9-22-15(19-13)7-11-3-5-12(17)6-4-11;;/h3-6,9H,7-8,10,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119523102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).