N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H20FN3O4S — CID 43953473

IUPACN-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOC1C=CC(CNC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)(OC)O1
InChIInChI=1S/C20H20FN3O4S/c1-12-17(18(25)22-11-20(27-3)9-8-16(26-2)28-20)29-19-23-15(10-24(12)19)13-4-6-14(21)7-5-13/h4-10,16H,11H2,1-3H3,(H,22,25)
InChIKeyLIEWUIKUUBBKIQ-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.14
Rot. Bonds6

About N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 43953473) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID43953473
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC NameN-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOC1C=CC(CNC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)(OC)O1
InChIInChI=1S/C20H20FN3O4S/c1-12-17(18(25)22-11-20(27-3)9-8-16(26-2)28-20)29-19-23-15(10-24(12)19)13-4-6-14(21)7-5-13/h4-10,16H,11H2,1-3H3,(H,22,25)
InChIKeyLIEWUIKUUBBKIQ-UHFFFAOYSA-N
XLogP3.14
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-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-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 43953473) is N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COC1C=CC(CNC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)(OC)O1.
What is the InChIKey of N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is LIEWUIKUUBBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-12-17(18(25)22-11-20(27-3)9-8-16(26-2)28-20)29-19-23-15(10-24(12)19)13-4-6-14(21)7-5-13/h4-10,16H,11H2,1-3H3,(H,22,25).
What are the key properties of N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-2H-furan-5-yl)methyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 43953473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).