5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H10FN3OS2 — CID 644845

IUPAC5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CSc2nnc(N)s2)cc1F
InChIInChI=1S/C10H10FN3OS2/c1-15-8-3-2-6(4-7(8)11)5-16-10-14-13-9(12)17-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyGRVRTJPLKMLTIY-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.56
Rot. Bonds4

About 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 644845) has the molecular formula C10H10FN3OS2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID644845
Molecular FormulaC10H10FN3OS2
Molecular Weight271.34 g/mol
Exact Mass271.02
IUPAC Name5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CSc2nnc(N)s2)cc1F
InChIInChI=1S/C10H10FN3OS2/c1-15-8-3-2-6(4-7(8)11)5-16-10-14-13-9(12)17-10/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyGRVRTJPLKMLTIY-UHFFFAOYSA-N
XLogP2.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 644845) is 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is COc1ccc(CSc2nnc(N)s2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GRVRTJPLKMLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS2/c1-15-8-3-2-6(4-7(8)11)5-16-10-14-13-9(12)17-10/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 644845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).