2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

C25H18FN5O2S — CID 44530703

IUPAC2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)s1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-8-5-15(6-9-19)16-3-2-4-17(11-16)23-30-20-10-7-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyUWBQVBAHBLPPIA-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.70
Rot. Bonds5

About 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 44530703) has the molecular formula C25H18FN5O2S and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID44530703
Molecular FormulaC25H18FN5O2S
Molecular Weight471.52 g/mol
Exact Mass471.12
IUPAC Name2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)s1
InChIInChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-8-5-15(6-9-19)16-3-2-4-17(11-16)23-30-20-10-7-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyUWBQVBAHBLPPIA-UHFFFAOYSA-N
XLogP5.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (CID 44530703) is 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)s1.
What is the InChIKey of 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UWBQVBAHBLPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O2S/c1-14(32)28-25-27-13-22(34-25)24(33)29-19-8-5-15(6-9-19)16-3-2-4-17(11-16)23-30-20-10-7-18(26)12-21(20)31-23/h2-13H,1H3,(H,29,33)(H,30,31)(H,27,28,32).
What are the key properties of 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44530703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).