2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

C15H19N3OS — CID 82547633

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
SMILESCC(N)c1nc(CC(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-11(16)15-18-13(10-20-15)9-14(19)17-8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9,16H2,1H3,(H,17,19)
InChIKeyLPNYCZBNEBDBTA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (PubChem CID 82547633) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
PubChem CID82547633
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
SMILESCC(N)c1nc(CC(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-11(16)15-18-13(10-20-15)9-14(19)17-8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9,16H2,1H3,(H,17,19)
InChIKeyLPNYCZBNEBDBTA-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
CID 75465076
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388061
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547706
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide (CID 82547633) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is CC(N)c1nc(CC(=O)NCCc2ccccc2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is LPNYCZBNEBDBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(16)15-18-13(10-20-15)9-14(19)17-8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 82547633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).