(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

C19H15FN2OS — CID 8533833

IUPAC(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cs1
InChIInChI=1S/C19H15FN2OS/c1-13-21-18(12-24-13)15-6-8-17(9-7-15)22-19(23)10-5-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b10-5+
InChIKeyBYVVGVYPIKINDV-BJMVGYQFSA-N
MW338.41 g/mol
LogP4.91
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (PubChem CID 8533833) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
PubChem CID8533833
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
SMILESCc1nc(-c2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cs1
InChIInChI=1S/C19H15FN2OS/c1-13-21-18(12-24-13)15-6-8-17(9-7-15)22-19(23)10-5-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b10-5+
InChIKeyBYVVGVYPIKINDV-BJMVGYQFSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 24584279
(E)-N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 46632684
(E)-3-(3-fluorophenyl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 9100769
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 28865342
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
(E)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2120614
(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 8534255

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide (CID 8533833) is (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is Cc1nc(-c2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cs1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
The InChIKey is BYVVGVYPIKINDV-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-13-21-18(12-24-13)15-6-8-17(9-7-15)22-19(23)10-5-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b10-5+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 8533833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).