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

C23H16FN5OS — CID 44530873

IUPACN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C23H16FN5OS/c1-13-21(31-29-28-13)23(30)25-18-8-5-14(6-9-18)15-3-2-4-16(11-15)22-26-19-10-7-17(24)12-20(19)27-22/h2-12H,1H3,(H,25,30)(H,26,27)
InChIKeyYFIAKDKWMHZAKX-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.45
Rot. Bonds4

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

N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 44530873) has the molecular formula C23H16FN5OS and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID44530873
Molecular FormulaC23H16FN5OS
Molecular Weight429.48 g/mol
Exact Mass429.11
IUPAC NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C23H16FN5OS/c1-13-21(31-29-28-13)23(30)25-18-8-5-14(6-9-18)15-3-2-4-16(11-15)22-26-19-10-7-17(24)12-20(19)27-22/h2-12H,1H3,(H,25,30)(H,26,27)
InChIKeyYFIAKDKWMHZAKX-UHFFFAOYSA-N
XLogP5.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44523944
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530689
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530690
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530691
N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530693
N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530694
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530695
N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530696
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530870
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530871
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530872
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530874

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 44530873) is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1.
What is the InChIKey of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is YFIAKDKWMHZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5OS/c1-13-21(31-29-28-13)23(30)25-18-8-5-14(6-9-18)15-3-2-4-16(11-15)22-26-19-10-7-17(24)12-20(19)27-22/h2-12H,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44530873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).