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

C17H22FN3OS — CID 3230641

IUPACN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)N(CC(C)C)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c1-4-5-9-15(22)21(11-12(2)3)17-20-19-16(23-17)13-7-6-8-14(18)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyRDWXMAAZFIEKIE-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.52
Rot. Bonds7

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

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide (PubChem CID 3230641) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide
PubChem CID3230641
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide
SMILESCCCCC(=O)N(CC(C)C)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C17H22FN3OS/c1-4-5-9-15(22)21(11-12(2)3)17-20-19-16(23-17)13-7-6-8-14(18)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyRDWXMAAZFIEKIE-UHFFFAOYSA-N
XLogP4.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide (CID 3230641) is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide is CCCCC(=O)N(CC(C)C)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide?
The InChIKey is RDWXMAAZFIEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-4-5-9-15(22)21(11-12(2)3)17-20-19-16(23-17)13-7-6-8-14(18)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3.
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide?
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide has a molecular weight of 335.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 3230641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).