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

C14H16FN3OS — CID 783363

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C14H16FN3OS/c1-9(2)7-12(19)16-14-18-17-13(20-14)8-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyYBIZMRYMGMHGJF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds5

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

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (PubChem CID 783363) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
PubChem CID783363
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C14H16FN3OS/c1-9(2)7-12(19)16-14-18-17-13(20-14)8-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyYBIZMRYMGMHGJF-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (CID 783363) is N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nnc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The InChIKey is YBIZMRYMGMHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-9(2)7-12(19)16-14-18-17-13(20-14)8-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 783363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).