4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide

C13H12N2O2S — CID 170798712

IUPAC4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O2S/c14-12(16)3-1-2-9-4-6-10(7-5-9)11-8-18-13(17)15-11/h1-2,4-8H,3H2,(H2,14,16)(H,15,17)
InChIKeyAXFFDMGCRWIIDJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.99
Rot. Bonds4

About 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide

4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide (PubChem CID 170798712) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide
PubChem CID170798712
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1ccc(-c2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H12N2O2S/c14-12(16)3-1-2-9-4-6-10(7-5-9)11-8-18-13(17)15-11/h1-2,4-8H,3H2,(H2,14,16)(H,15,17)
InChIKeyAXFFDMGCRWIIDJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide?
The IUPAC name of 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide (CID 170798712) is 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide?
The canonical SMILES for 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide is NC(=O)CC=Cc1ccc(-c2csc(=O)[nH]2)cc1.
What is the InChIKey of 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide?
The InChIKey is AXFFDMGCRWIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-12(16)3-1-2-9-4-6-10(7-5-9)11-8-18-13(17)15-11/h1-2,4-8H,3H2,(H2,14,16)(H,15,17).
What are the key properties of 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide?
4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide has a molecular weight of 260.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]but-3-enamide is sourced from PubChem (CID 170798712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).