4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide

C14H14N2OS — CID 166386998

IUPAC4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide
SMILESC=CCCc1ccc(C(=O)Nc2cncs2)cc1
InChIInChI=1S/C14H14N2OS/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-13-9-15-10-18-13/h2,5-10H,1,3-4H2,(H,16,17)
InChIKeyRQBOMPNVBPVPOI-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.51
Rot. Bonds5

About 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide

4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide (PubChem CID 166386998) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide
PubChem CID166386998
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide
SMILESC=CCCc1ccc(C(=O)Nc2cncs2)cc1
InChIInChI=1S/C14H14N2OS/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-13-9-15-10-18-13/h2,5-10H,1,3-4H2,(H,16,17)
InChIKeyRQBOMPNVBPVPOI-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide (CID 166386998) is 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide is C=CCCc1ccc(C(=O)Nc2cncs2)cc1.
What is the InChIKey of 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide?
The InChIKey is RQBOMPNVBPVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-3-4-11-5-7-12(8-6-11)14(17)16-13-9-15-10-18-13/h2,5-10H,1,3-4H2,(H,16,17).
What are the key properties of 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide?
4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide has a molecular weight of 258.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-N-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 166386998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).