N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide

C17H10FN3OS2 — CID 4673623

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(F)cc1
InChIInChI=1S/C17H10FN3OS2/c18-11-7-5-10(6-8-11)15(22)21-17-20-13(9-23-17)16-19-12-3-1-2-4-14(12)24-16/h1-9H,(H,20,21,22)
InChIKeyYBHOAUNHVISQII-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.81
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 4673623) has the molecular formula C17H10FN3OS2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID4673623
Molecular FormulaC17H10FN3OS2
Molecular Weight355.42 g/mol
Exact Mass355.02
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(F)cc1
InChIInChI=1S/C17H10FN3OS2/c18-11-7-5-10(6-8-11)15(22)21-17-20-13(9-23-17)16-19-12-3-1-2-4-14(12)24-16/h1-9H,(H,20,21,22)
InChIKeyYBHOAUNHVISQII-UHFFFAOYSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110481
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-[bis(2-cyanoethyl)sulfamoyl]benzamide
CID 5063786
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 42223983
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 4673623) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is YBHOAUNHVISQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3OS2/c18-11-7-5-10(6-8-11)15(22)21-17-20-13(9-23-17)16-19-12-3-1-2-4-14(12)24-16/h1-9H,(H,20,21,22).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 355.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 4673623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).