5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine

C15H9FN4OS2 — CID 71940144

IUPAC5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(Sc2nc3ccccc3o2)s1
InChIInChI=1S/C15H9FN4OS2/c16-9-5-1-2-6-10(9)17-13-19-20-15(22-13)23-14-18-11-7-3-4-8-12(11)21-14/h1-8H,(H,17,19)
InChIKeySDGWOHJOLGLVPR-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.71
Rot. Bonds4

About 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 71940144) has the molecular formula C15H9FN4OS2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID71940144
Molecular FormulaC15H9FN4OS2
Molecular Weight344.40 g/mol
Exact Mass344.02
IUPAC Name5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccccc1Nc1nnc(Sc2nc3ccccc3o2)s1
InChIInChI=1S/C15H9FN4OS2/c16-9-5-1-2-6-10(9)17-13-19-20-15(22-13)23-14-18-11-7-3-4-8-12(11)21-14/h1-8H,(H,17,19)
InChIKeySDGWOHJOLGLVPR-UHFFFAOYSA-N
XLogP4.71
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 71940144) is 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccccc1Nc1nnc(Sc2nc3ccccc3o2)s1.
What is the InChIKey of 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SDGWOHJOLGLVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4OS2/c16-9-5-1-2-6-10(9)17-13-19-20-15(22-13)23-14-18-11-7-3-4-8-12(11)21-14/h1-8H,(H,17,19).
What are the key properties of 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 344.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71940144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).