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

C13H14N2OS — CID 3310551

IUPAC4-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H14N2OS/c16-12(15-13-14-9-10-17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,14,15,16)
InChIKeyLWPRIYRSEGZFND-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.10
Rot. Bonds5

About 4-phenyl-N-(1,3-thiazol-2-yl)butanamide

4-phenyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3310551) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-phenyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID3310551
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H14N2OS/c16-12(15-13-14-9-10-17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,14,15,16)
InChIKeyLWPRIYRSEGZFND-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-phenyl-N-(1,3-thiazol-2-yl)butanamide (CID 3310551) is 4-phenyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-phenyl-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCc1ccccc1)Nc1nccs1.
What is the InChIKey of 4-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is LWPRIYRSEGZFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-12(15-13-14-9-10-17-13)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,14,15,16).
What are the key properties of 4-phenyl-N-(1,3-thiazol-2-yl)butanamide?
4-phenyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 246.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3310551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).