N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

C16H23N3O2S — CID 119598856

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H23N3O2S/c1-11(2)7-16(3,10-17)19-14(20)6-13-9-22-15(18-13)12-4-5-21-8-12/h4-5,8-9,11H,6-7,10,17H2,1-3H3,(H,19,20)
InChIKeyUOENLLIWVLGNDH-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.83
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119598856) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID119598856
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H23N3O2S/c1-11(2)7-16(3,10-17)19-14(20)6-13-9-22-15(18-13)12-4-5-21-8-12/h4-5,8-9,11H,6-7,10,17H2,1-3H3,(H,19,20)
InChIKeyUOENLLIWVLGNDH-UHFFFAOYSA-N
XLogP2.83
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119600151
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889
N-[4-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119599066
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
N-[1-(aminomethyl)cyclopentyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119566614
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 119598146
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide (CID 119598856) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is CC(C)CC(C)(CN)NC(=O)Cc1csc(-c2ccoc2)n1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UOENLLIWVLGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(2)7-16(3,10-17)19-14(20)6-13-9-22-15(18-13)12-4-5-21-8-12/h4-5,8-9,11H,6-7,10,17H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119598856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).