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

C13H14N2OS — CID 2915589

IUPAC3-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(CC(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-10(11-5-3-2-4-6-11)9-12(16)15-13-14-7-8-17-13/h2-8,10H,9H2,1H3,(H,14,15,16)
InChIKeyNLVYETCQEBKMAZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.28
Rot. Bonds4

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

3-phenyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2915589) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-phenyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2915589
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3-phenyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(CC(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-10(11-5-3-2-4-6-11)9-12(16)15-13-14-7-8-17-13/h2-8,10H,9H2,1H3,(H,14,15,16)
InChIKeyNLVYETCQEBKMAZ-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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3-phenyl-N-(1,3-thiazol-2-yl)butanamide (CID 2915589) is 3-phenyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3-phenyl-N-(1,3-thiazol-2-yl)butanamide is CC(CC(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is NLVYETCQEBKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(11-5-3-2-4-6-11)9-12(16)15-13-14-7-8-17-13/h2-8,10H,9H2,1H3,(H,14,15,16).
What are the key properties of 3-phenyl-N-(1,3-thiazol-2-yl)butanamide?
3-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 3-phenyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2915589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).