3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C11H12FN3O2S2 — CID 86786117

IUPAC3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CS(=O)(=O)c2cccc(F)c2)ns1
InChIInChI=1S/C11H12FN3O2S2/c1-15(2)11-13-10(14-18-11)7-19(16,17)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3
InChIKeyKWCKCSUOIPGIJA-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.72
Rot. Bonds4

About 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 86786117) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID86786117
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CS(=O)(=O)c2cccc(F)c2)ns1
InChIInChI=1S/C11H12FN3O2S2/c1-15(2)11-13-10(14-18-11)7-19(16,17)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3
InChIKeyKWCKCSUOIPGIJA-UHFFFAOYSA-N
XLogP1.72
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 86786117) is 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CS(=O)(=O)c2cccc(F)c2)ns1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KWCKCSUOIPGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-15(2)11-13-10(14-18-11)7-19(16,17)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 301.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfonylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86786117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).