2-phenyl-N-(1,3-thiazol-2-yl)butanamide

C13H14N2OS — CID 2888884

IUPAC2-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-2-11(10-6-4-3-5-7-10)12(16)15-13-14-8-9-17-13/h3-9,11H,2H2,1H3,(H,14,15,16)
InChIKeyHFMXVXVFGOZHQL-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.28
Rot. Bonds4

About 2-phenyl-N-(1,3-thiazol-2-yl)butanamide

2-phenyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2888884) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-phenyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2888884
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-2-11(10-6-4-3-5-7-10)12(16)15-13-14-8-9-17-13/h3-9,11H,2H2,1H3,(H,14,15,16)
InChIKeyHFMXVXVFGOZHQL-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 4995894
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-phenyl-N-(1,3-thiazol-2-yl)butanamide (CID 2888884) is 2-phenyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-phenyl-N-(1,3-thiazol-2-yl)butanamide is CCC(C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is HFMXVXVFGOZHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-11(10-6-4-3-5-7-10)12(16)15-13-14-8-9-17-13/h3-9,11H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-phenyl-N-(1,3-thiazol-2-yl)butanamide?
2-phenyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 246.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2888884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).