N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide

C20H18FN3O2S — CID 90547451

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)o1
InChIInChI=1S/C20H18FN3O2S/c1-11-8-16(13(3)26-11)19(25)22-9-18-12(2)24-10-17(23-20(24)27-18)14-4-6-15(21)7-5-14/h4-8,10H,9H2,1-3H3,(H,22,25)
InChIKeyXIPXZNRVEVBGLC-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.65
Rot. Bonds4

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 90547451) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID90547451
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)o1
InChIInChI=1S/C20H18FN3O2S/c1-11-8-16(13(3)26-11)19(25)22-9-18-12(2)24-10-17(23-20(24)27-18)14-4-6-15(21)7-5-14/h4-8,10H,9H2,1-3H3,(H,22,25)
InChIKeyXIPXZNRVEVBGLC-UHFFFAOYSA-N
XLogP4.65
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide (CID 90547451) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c(C)o1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XIPXZNRVEVBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-11-8-16(13(3)26-11)19(25)22-9-18-12(2)24-10-17(23-20(24)27-18)14-4-6-15(21)7-5-14/h4-8,10H,9H2,1-3H3,(H,22,25).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 90547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).