2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

C17H13FN4OS — CID 43063903

IUPAC2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccc(F)cc2s1)n1cnc2ccccc21
InChIInChI=1S/C17H13FN4OS/c1-10(22-9-19-12-4-2-3-5-14(12)22)16(23)21-17-20-13-7-6-11(18)8-15(13)24-17/h2-10H,1H3,(H,20,21,23)
InChIKeyNYNFXGREZUYQDT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.98
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 43063903) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
PubChem CID43063903
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccc(F)cc2s1)n1cnc2ccccc21
InChIInChI=1S/C17H13FN4OS/c1-10(22-9-19-12-4-2-3-5-14(12)22)16(23)21-17-20-13-7-6-11(18)8-15(13)24-17/h2-10H,1H3,(H,20,21,23)
InChIKeyNYNFXGREZUYQDT-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 8750662
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43063918
(2R)-2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 95908915
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332
(2R)-2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pentanamide
CID 28662479
N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 50875700
2-[ethyl(2-methylprop-2-enyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 112810877
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
CID 54680225
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (CID 43063903) is 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is CC(C(=O)Nc1nc2ccc(F)cc2s1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is NYNFXGREZUYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-10(22-9-19-12-4-2-3-5-14(12)22)16(23)21-17-20-13-7-6-11(18)8-15(13)24-17/h2-10H,1H3,(H,20,21,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 43063903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).