1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one

C14H16N2OS — CID 116585753

IUPAC1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
SMILESCC(N)c1nc(C(=O)CCc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-10(15)14-16-12(9-18-14)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3
InChIKeyQIVSPBPNJOPPAL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one (PubChem CID 116585753) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
PubChem CID116585753
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
SMILESCC(N)c1nc(C(=O)CCc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-10(15)14-16-12(9-18-14)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3
InChIKeyQIVSPBPNJOPPAL-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluorophenyl)ethanone
CID 116585635
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]heptan-1-one
CID 116585789
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-tert-butylphenyl)ethanone
CID 116585793
1-(2-methyl-1,3-thiazol-4-yl)-4-phenylbutan-1-one
CID 105093182
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
3-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoic acid
CID 66388542
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120884448
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate
CID 3528961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one (CID 116585753) is 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one is CC(N)c1nc(C(=O)CCc2ccccc2)cs1.
What is the InChIKey of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The InChIKey is QIVSPBPNJOPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(15)14-16-12(9-18-14)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one has a molecular weight of 260.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 116585753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).