N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide

C14H13N3OS — CID 90603621

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(C#N)s1)c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-2-12(10-6-4-3-5-7-10)13(18)17-14-16-9-11(8-15)19-14/h3-7,9,12H,2H2,1H3,(H,16,17,18)
InChIKeyPXMCUCAMKLCMOT-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.15
Rot. Bonds4

About N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 90603621) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID90603621
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(C#N)s1)c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-2-12(10-6-4-3-5-7-10)13(18)17-14-16-9-11(8-15)19-14/h3-7,9,12H,2H2,1H3,(H,16,17,18)
InChIKeyPXMCUCAMKLCMOT-UHFFFAOYSA-N
XLogP3.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
(2S)-2-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 46226290
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 22518004
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-phenylpropyl)urea
CID 90603725
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 90603621) is N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ncc(C#N)s1)c1ccccc1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is PXMCUCAMKLCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-12(10-6-4-3-5-7-10)13(18)17-14-16-9-11(8-15)19-14/h3-7,9,12H,2H2,1H3,(H,16,17,18).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 271.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 90603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).