N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C18H13FN2O2S — CID 97134583

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC2)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN2O2S/c19-14-4-1-11(2-5-14)18-21-16(10-24-18)17(22)20-15-6-3-12-8-23-9-13(12)7-15/h1-7,10H,8-9H2,(H,20,22)
InChIKeyRCIYOPCUVBPYHL-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.23
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 97134583) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID97134583
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)COC2)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN2O2S/c19-14-4-1-11(2-5-14)18-21-16(10-24-18)17(22)20-15-6-3-12-8-23-9-13(12)7-15/h1-7,10H,8-9H2,(H,20,22)
InChIKeyRCIYOPCUVBPYHL-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 97134583) is N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)COC2)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RCIYOPCUVBPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c19-14-4-1-11(2-5-14)18-21-16(10-24-18)17(22)20-15-6-3-12-8-23-9-13(12)7-15/h1-7,10H,8-9H2,(H,20,22).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97134583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).