(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide

C16H11FN2OS2 — CID 36654925

IUPAC(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)s1)Nc1nccs1
InChIInChI=1S/C16H11FN2OS2/c17-13-4-2-1-3-12(13)14-7-5-11(22-14)6-8-15(20)19-16-18-9-10-21-16/h1-10H,(H,18,19,20)/b8-6+
InChIKeyKPLKDQXGXJSUJZ-SOFGYWHQSA-N
MW330.41 g/mol
LogP4.66
Rot. Bonds4

About (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 36654925) has the molecular formula C16H11FN2OS2 and a molecular weight of 330.41 g/mol. Its IUPAC name is (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID36654925
Molecular FormulaC16H11FN2OS2
Molecular Weight330.41 g/mol
Exact Mass330.03
IUPAC Name(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)s1)Nc1nccs1
InChIInChI=1S/C16H11FN2OS2/c17-13-4-2-1-3-12(13)14-7-5-11(22-14)6-8-15(20)19-16-18-9-10-21-16/h1-10H,(H,18,19,20)/b8-6+
InChIKeyKPLKDQXGXJSUJZ-SOFGYWHQSA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.66
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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Related Compounds

(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 68715960
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
CID 36801314
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methoxy-N-methylprop-2-enamide
CID 47153642
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46552434
N,N-bis(2-amino-2-oxoethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 72685707
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46564232
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 46593071
3-[[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 33098154
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 46553076
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 30845618
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]prop-2-enamide
CID 56586253

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 36654925) is (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2F)s1)Nc1nccs1.
What is the InChIKey of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is KPLKDQXGXJSUJZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H11FN2OS2/c17-13-4-2-1-3-12(13)14-7-5-11(22-14)6-8-15(20)19-16-18-9-10-21-16/h1-10H,(H,18,19,20)/b8-6+.
What are the key properties of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 36654925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).