N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide

C25H19FN4O2S — CID 57109678

IUPACN-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide
SMILESCc1ncc(-c2cccc(C(=O)Nc3nc4cc(F)ccc4s3)c2OCc2ccccc2)[nH]1
InChIInChI=1S/C25H19FN4O2S/c1-15-27-13-21(28-15)18-8-5-9-19(23(18)32-14-16-6-3-2-4-7-16)24(31)30-25-29-20-12-17(26)10-11-22(20)33-25/h2-13H,14H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyWOGHSUVNDRBCRH-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.97
Rot. Bonds6

About N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide

N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide (PubChem CID 57109678) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide
PubChem CID57109678
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC NameN-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide
SMILESCc1ncc(-c2cccc(C(=O)Nc3nc4cc(F)ccc4s3)c2OCc2ccccc2)[nH]1
InChIInChI=1S/C25H19FN4O2S/c1-15-27-13-21(28-15)18-8-5-9-19(23(18)32-14-16-6-3-2-4-7-16)24(31)30-25-29-20-12-17(26)10-11-22(20)33-25/h2-13H,14H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyWOGHSUVNDRBCRH-UHFFFAOYSA-N
XLogP5.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2-[4-[2-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 25175138
N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 162671545
2-(4-fluorophenyl)-N-(2-methoxybenzyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018574
N-(2-ethoxybenzyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018512
N-(2-ethoxybenzyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018546
2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 46236615
N-(1,3-thiazol-2-ylmethyl)-3-[6-[2-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]benzamide
CID 71568069
N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-[[2-(2,2,2-trifluoroethoxy)benzoyl]amino]pentyl]-1,3-thiazole-5-carboxamide
CID 162650606
Srtcx1003
CID 75124302
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide
CID 16824191
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 16824215
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethoxybenzamide
CID 18589819

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide (CID 57109678) is N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide is Cc1ncc(-c2cccc(C(=O)Nc3nc4cc(F)ccc4s3)c2OCc2ccccc2)[nH]1.
What is the InChIKey of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide?
The InChIKey is WOGHSUVNDRBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-15-27-13-21(28-15)18-8-5-9-19(23(18)32-14-16-6-3-2-4-7-16)24(31)30-25-29-20-12-17(26)10-11-22(20)33-25/h2-13H,14H2,1H3,(H,27,28)(H,29,30,31).
What are the key properties of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide?
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide has a molecular weight of 458.52 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-(2-methyl-1H-imidazol-5-yl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 57109678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).