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

C20H13FN4O2S2 — CID 36503739

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H13FN4O2S2/c1-11-15(22-19(29-11)14-3-2-9-27-14)18(26)24-17-16(12-4-6-13(21)7-5-12)23-20-25(17)8-10-28-20/h2-10H,1H3,(H,24,26)
InChIKeyGDVNKJGDWNZWOP-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.48
Rot. Bonds4

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

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 36503739) has the molecular formula C20H13FN4O2S2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID36503739
Molecular FormulaC20H13FN4O2S2
Molecular Weight424.48 g/mol
Exact Mass424.05
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H13FN4O2S2/c1-11-15(22-19(29-11)14-3-2-9-27-14)18(26)24-17-16(12-4-6-13(21)7-5-12)23-20-25(17)8-10-28-20/h2-10H,1H3,(H,24,26)
InChIKeyGDVNKJGDWNZWOP-UHFFFAOYSA-N
XLogP5.48
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 36503739) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GDVNKJGDWNZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2S2/c1-11-15(22-19(29-11)14-3-2-9-27-14)18(26)24-17-16(12-4-6-13(21)7-5-12)23-20-25(17)8-10-28-20/h2-10H,1H3,(H,24,26).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36503739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).