(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C16H12N2OS2 — CID 10448235

IUPAC(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1nccs1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C16H12N2OS2/c19-15(18-16-17-8-10-21-16)14(11-13-7-4-9-20-13)12-5-2-1-3-6-12/h1-11H,(H,17,18,19)/b14-11+
InChIKeyBPJACHGKVVOUIW-SDNWHVSQSA-N
MW312.42 g/mol
LogP4.38
Rot. Bonds4

About (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 10448235) has the molecular formula C16H12N2OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID10448235
Molecular FormulaC16H12N2OS2
Molecular Weight312.42 g/mol
Exact Mass312.04
IUPAC Name(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1nccs1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C16H12N2OS2/c19-15(18-16-17-8-10-21-16)14(11-13-7-4-9-20-13)12-5-2-1-3-6-12/h1-11H,(H,17,18,19)/b14-11+
InChIKeyBPJACHGKVVOUIW-SDNWHVSQSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.38
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)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 10448235) is (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is O=C(Nc1nccs1)/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BPJACHGKVVOUIW-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H12N2OS2/c19-15(18-16-17-8-10-21-16)14(11-13-7-4-9-20-13)12-5-2-1-3-6-12/h1-11H,(H,17,18,19)/b14-11+.
What are the key properties of (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 312.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 10448235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).