5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole

C19H13FN4OS — CID 155811204

IUPAC5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C19H13FN4OS/c1-25-13-5-2-11(3-6-13)16-17(24-8-9-26-19(24)23-16)18-21-14-7-4-12(20)10-15(14)22-18/h2-10H,1H3,(H,21,22)
InChIKeyJKCGKDAMXHGMRI-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.75
Rot. Bonds3

About 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole

5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155811204) has the molecular formula C19H13FN4OS and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID155811204
Molecular FormulaC19H13FN4OS
Molecular Weight364.41 g/mol
Exact Mass364.08
IUPAC Name5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2nc3ccc(F)cc3[nH]2)cc1
InChIInChI=1S/C19H13FN4OS/c1-25-13-5-2-11(3-6-13)16-17(24-8-9-26-19(24)23-16)18-21-14-7-4-12(20)10-15(14)22-18/h2-10H,1H3,(H,21,22)
InChIKeyJKCGKDAMXHGMRI-UHFFFAOYSA-N
XLogP4.75
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole (CID 155811204) is 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole is COc1ccc(-c2nc3sccn3c2-c2nc3ccc(F)cc3[nH]2)cc1.
What is the InChIKey of 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is JKCGKDAMXHGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4OS/c1-25-13-5-2-11(3-6-13)16-17(24-8-9-26-19(24)23-16)18-21-14-7-4-12(20)10-15(14)22-18/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole?
5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 364.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-benzimidazol-2-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155811204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).