N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide

C14H16N2OS — CID 110388295

IUPACN-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-11(12-5-3-2-4-6-12)16-13(17)7-8-14-15-9-10-18-14/h2-6,9-11H,7-8H2,1H3,(H,16,17)
InChIKeyAIJRHIUONOFKTI-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.95
Rot. Bonds5

About N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide

N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 110388295) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
PubChem CID110388295
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-11(12-5-3-2-4-6-12)16-13(17)7-8-14-15-9-10-18-14/h2-6,9-11H,7-8H2,1H3,(H,16,17)
InChIKeyAIJRHIUONOFKTI-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119212051
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
2-methyl-3-[4-[3-(1,3-thiazol-2-yl)propanoylamino]phenyl]propanoic acid
CID 120540728
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
3-[4-[1-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 102572989
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
N-[(1S)-1-phenylethyl]decanamide
CID 98131360

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide (CID 110388295) is N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide is CC(NC(=O)CCc1nccs1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is AIJRHIUONOFKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(12-5-3-2-4-6-12)16-13(17)7-8-14-15-9-10-18-14/h2-6,9-11H,7-8H2,1H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide?
N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).