(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide

C18H14FN3O2S2 — CID 24556381

IUPAC(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccsc3)n2)c(F)c1
InChIInChI=1S/C18H14FN3O2S2/c1-11(23)20-13-3-4-14(15(19)8-13)16-10-26-18(21-16)22-17(24)5-2-12-6-7-25-9-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/b5-2+
InChIKeyGAIZFXZTVHFEGE-GORDUTHDSA-N
MW387.46 g/mol
LogP4.62
Rot. Bonds5

About (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 24556381) has the molecular formula C18H14FN3O2S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
PubChem CID24556381
Molecular FormulaC18H14FN3O2S2
Molecular Weight387.46 g/mol
Exact Mass387.05
IUPAC Name(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccsc3)n2)c(F)c1
InChIInChI=1S/C18H14FN3O2S2/c1-11(23)20-13-3-4-14(15(19)8-13)16-10-26-18(21-16)22-17(24)5-2-12-6-7-25-9-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/b5-2+
InChIKeyGAIZFXZTVHFEGE-GORDUTHDSA-N
XLogP4.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18272030
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49320988
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
(E)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1011282
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
(E)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 17443026
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide (CID 24556381) is (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide is CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccsc3)n2)c(F)c1.
What is the InChIKey of (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is GAIZFXZTVHFEGE-GORDUTHDSA-N. The full InChI is InChI=1S/C18H14FN3O2S2/c1-11(23)20-13-3-4-14(15(19)8-13)16-10-26-18(21-16)22-17(24)5-2-12-6-7-25-9-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/b5-2+.
What are the key properties of (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 387.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 24556381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).