(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

C19H15FN2OS — CID 2671904

IUPAC(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-5-3-2-4-6-17)18(23)12-9-15-7-10-16(20)11-8-15/h2-13H,1H3/b12-9+
InChIKeyFWZANJBBFQUHTO-FMIVXFBMSA-N
MW338.41 g/mol
LogP4.97
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (PubChem CID 2671904) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
PubChem CID2671904
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-5-3-2-4-6-17)18(23)12-9-15-7-10-16(20)11-8-15/h2-13H,1H3/b12-9+
InChIKeyFWZANJBBFQUHTO-FMIVXFBMSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (CID 2671904) is (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is Cc1csc(N(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2)n1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The InChIKey is FWZANJBBFQUHTO-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-5-3-2-4-6-17)18(23)12-9-15-7-10-16(20)11-8-15/h2-13H,1H3/b12-9+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 2671904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).