2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine

C20H13FN4S — CID 70864394

IUPAC2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(F)c(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)c1
InChIInChI=1S/C20H13FN4S/c1-11-2-4-14(21)13(8-11)19-23-15-5-3-12(9-17(15)24-19)20-25-16-6-7-22-10-18(16)26-20/h2-10H,1H3,(H,23,24)
InChIKeyKNSOKIPLVJPAJA-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.35
Rot. Bonds2

About 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine

2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 70864394) has the molecular formula C20H13FN4S and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
PubChem CID70864394
Molecular FormulaC20H13FN4S
Molecular Weight360.42 g/mol
Exact Mass360.08
IUPAC Name2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(F)c(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)c1
InChIInChI=1S/C20H13FN4S/c1-11-2-4-14(21)13(8-11)19-23-15-5-3-12(9-17(15)24-19)20-25-16-6-7-22-10-18(16)26-20/h2-10H,1H3,(H,23,24)
InChIKeyKNSOKIPLVJPAJA-UHFFFAOYSA-N
XLogP5.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine (CID 70864394) is 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is Cc1ccc(F)c(-c2nc3ccc(-c4nc5ccncc5s4)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is KNSOKIPLVJPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4S/c1-11-2-4-14(21)13(8-11)19-23-15-5-3-12(9-17(15)24-19)20-25-16-6-7-22-10-18(16)26-20/h2-10H,1H3,(H,23,24).
What are the key properties of 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 360.42 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-5-methylphenyl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 70864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).