3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide

C14H15BrN2O2S — CID 91942616

IUPAC3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide
SMILESCCc1nc(CN(C)C(=O)C=Cc2ccc(Br)o2)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-3-13-16-10(9-20-13)8-17(2)14(18)7-5-11-4-6-12(15)19-11/h4-7,9H,3,8H2,1-2H3
InChIKeyYOBSVSVQBUETRD-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.73
Rot. Bonds5

About 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide

3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide (PubChem CID 91942616) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide
PubChem CID91942616
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide
SMILESCCc1nc(CN(C)C(=O)C=Cc2ccc(Br)o2)cs1
InChIInChI=1S/C14H15BrN2O2S/c1-3-13-16-10(9-20-13)8-17(2)14(18)7-5-11-4-6-12(15)19-11/h4-7,9H,3,8H2,1-2H3
InChIKeyYOBSVSVQBUETRD-UHFFFAOYSA-N
XLogP3.73
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide (CID 91942616) is 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide is CCc1nc(CN(C)C(=O)C=Cc2ccc(Br)o2)cs1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is YOBSVSVQBUETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-3-13-16-10(9-20-13)8-17(2)14(18)7-5-11-4-6-12(15)19-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide?
3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 355.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 91942616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).