N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide

C17H22FN3OS — CID 3230629

IUPACN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCCC)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c1-3-5-10-15(22)21(11-6-4-2)17-20-19-16(23-17)13-8-7-9-14(18)12-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyJQLZYKZBNPHKAJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.67
Rot. Bonds8

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

N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 3230629) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID3230629
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC NameN-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)N(CCCC)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c1-3-5-10-15(22)21(11-6-4-2)17-20-19-16(23-17)13-8-7-9-14(18)12-13/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyJQLZYKZBNPHKAJ-UHFFFAOYSA-N
XLogP4.67
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide (CID 3230629) is N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)N(CCCC)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is JQLZYKZBNPHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-3-5-10-15(22)21(11-6-4-2)17-20-19-16(23-17)13-8-7-9-14(18)12-13/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide?
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 335.45 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 3230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).