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

C14H16FN3OS2 — CID 1393290

IUPACN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
InChIInChI=1S/C14H16FN3OS2/c1-9(2)13(19)16-14-18-17-12(21-14)8-20-7-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyAMFHVQJMBWBMOB-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.71
Rot. Bonds6

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

N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 1393290) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID1393290
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC NameN-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
InChIInChI=1S/C14H16FN3OS2/c1-9(2)13(19)16-14-18-17-12(21-14)8-20-7-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19)
InChIKeyAMFHVQJMBWBMOB-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 1393290) is N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is AMFHVQJMBWBMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-9(2)13(19)16-14-18-17-12(21-14)8-20-7-10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 1393290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).