2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide

C18H25N3O2S — CID 75465076

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
SMILESCC(N)c1nc(CC(=O)NCc2ccccc2OC(C)(C)C)cs1
InChIInChI=1S/C18H25N3O2S/c1-12(19)17-21-14(11-24-17)9-16(22)20-10-13-7-5-6-8-15(13)23-18(2,3)4/h5-8,11-12H,9-10,19H2,1-4H3,(H,20,22)
InChIKeyHPPHWXRXHSAEKW-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide (PubChem CID 75465076) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
PubChem CID75465076
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
SMILESCC(N)c1nc(CC(=O)NCc2ccccc2OC(C)(C)C)cs1
InChIInChI=1S/C18H25N3O2S/c1-12(19)17-21-14(11-24-17)9-16(22)20-10-13-7-5-6-8-15(13)23-18(2,3)4/h5-8,11-12H,9-10,19H2,1-4H3,(H,20,22)
InChIKeyHPPHWXRXHSAEKW-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine;hydroiodide
CID 109454933
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547706
N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568232
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide (CID 75465076) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide is CC(N)c1nc(CC(=O)NCc2ccccc2OC(C)(C)C)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide?
The InChIKey is HPPHWXRXHSAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(19)17-21-14(11-24-17)9-16(22)20-10-13-7-5-6-8-15(13)23-18(2,3)4/h5-8,11-12H,9-10,19H2,1-4H3,(H,20,22).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide is sourced from PubChem (CID 75465076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).