N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide

C13H14FN3OS — CID 7747528

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3OS/c1-2-3-7-11-16-17-13(19-11)15-12(18)9-5-4-6-10(14)8-9/h4-6,8H,2-3,7H2,1H3,(H,15,17,18)
InChIKeyGAIMUGVIMYZUJZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.27
Rot. Bonds5

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (PubChem CID 7747528) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
PubChem CID7747528
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3OS/c1-2-3-7-11-16-17-13(19-11)15-12(18)9-5-4-6-10(14)8-9/h4-6,8H,2-3,7H2,1H3,(H,15,17,18)
InChIKeyGAIMUGVIMYZUJZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-[5-(3-chloropropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 82058053
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 769224
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193496
3-fluoro-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1440659
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide (CID 7747528) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is CCCCc1nnc(NC(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
The InChIKey is GAIMUGVIMYZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-2-3-7-11-16-17-13(19-11)15-12(18)9-5-4-6-10(14)8-9/h4-6,8H,2-3,7H2,1H3,(H,15,17,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 7747528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).