(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide

C16H11BrN2O2S — CID 1188718

IUPAC(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1nccs1
InChIInChI=1S/C16H11BrN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-10H,(H,18,19,20)/b8-6+
InChIKeyXMZOVPSZVRMFGX-SOFGYWHQSA-N
MW375.25 g/mol
LogP4.82
Rot. Bonds4

About (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 1188718) has the molecular formula C16H11BrN2O2S and a molecular weight of 375.25 g/mol. Its IUPAC name is (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID1188718
Molecular FormulaC16H11BrN2O2S
Molecular Weight375.25 g/mol
Exact Mass373.97
IUPAC Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1nccs1
InChIInChI=1S/C16H11BrN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-10H,(H,18,19,20)/b8-6+
InChIKeyXMZOVPSZVRMFGX-SOFGYWHQSA-N
XLogP4.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 1188718) is (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1nccs1.
What is the InChIKey of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is XMZOVPSZVRMFGX-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H11BrN2O2S/c17-12-3-1-11(2-4-12)14-7-5-13(21-14)6-8-15(20)19-16-18-9-10-22-16/h1-10H,(H,18,19,20)/b8-6+.
What are the key properties of (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 375.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-bromophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 1188718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).