2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H12FN5OS — CID 93242439

IUPAC2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C17H12FN5OS/c18-12-6-2-1-5-11(12)16-21-22-17(25-16)20-15(24)9-23-10-19-13-7-3-4-8-14(13)23/h1-8,10H,9H2,(H,20,22,24)
InChIKeyMDMNOJPPMLDPIC-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.33
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 93242439) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID93242439
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C17H12FN5OS/c18-12-6-2-1-5-11(12)16-21-22-17(25-16)20-15(24)9-23-10-19-13-7-3-4-8-14(13)23/h1-8,10H,9H2,(H,20,22,24)
InChIKeyMDMNOJPPMLDPIC-UHFFFAOYSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 86909345
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121025018
2-(2-oxoquinoxalin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991608
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 168719703
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 93242439) is 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cn1cnc2ccccc21)Nc1nnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MDMNOJPPMLDPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c18-12-6-2-1-5-11(12)16-21-22-17(25-16)20-15(24)9-23-10-19-13-7-3-4-8-14(13)23/h1-8,10H,9H2,(H,20,22,24).
What are the key properties of 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 93242439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).