ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate

C18H15FN2O3S2 — CID 84560402

IUPACethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cscn2)sc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-3-24-18(23)15-14(11-4-6-12(19)7-5-11)10(2)26-17(15)21-16(22)13-8-25-9-20-13/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyMHIWWGULGMAHEW-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate

ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 84560402) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
PubChem CID84560402
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC Nameethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cscn2)sc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3S2/c1-3-24-18(23)15-14(11-4-6-12(19)7-5-11)10(2)26-17(15)21-16(22)13-8-25-9-20-13/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyMHIWWGULGMAHEW-UHFFFAOYSA-N
XLogP4.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-fluorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 4570373
ethyl 2-(1,3-thiazole-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 84561013
ethyl 5-methyl-4-(4-propylphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
CID 1017753
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 84560416
ethyl 5-methyl-2-[(4-methylbenzoyl)amino]-4-phenylthiophene-3-carboxylate
CID 2281503
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
2-[(5-chlorothiophene-2-carbonyl)amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 1245031
methyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 19199917
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
methyl 2-(cyclopropanecarbonylamino)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
CID 4073091
methyl 4-(4-fluorophenyl)-5-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19226325

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (CID 84560402) is ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cscn2)sc(C)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is MHIWWGULGMAHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c1-3-24-18(23)15-14(11-4-6-12(19)7-5-11)10(2)26-17(15)21-16(22)13-8-25-9-20-13/h4-9H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 84560402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).