N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C13H14FN3OS — CID 156738030

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3OS/c1-8(2)12(18)15-13-17-16-11(19-13)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyMUVQUEZCWPUESU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.86
Rot. Bonds4

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

N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 156738030) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID156738030
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1
InChIInChI=1S/C13H14FN3OS/c1-8(2)12(18)15-13-17-16-11(19-13)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18)
InChIKeyMUVQUEZCWPUESU-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 156738030) is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nnc(Cc2cccc(F)c2)s1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is MUVQUEZCWPUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(2)12(18)15-13-17-16-11(19-13)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 156738030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).