5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H11FN4S2 — CID 63738878

IUPAC5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(N)cc(F)c2)s1
InChIInChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-6(11)3-7(12)5-8/h3-5H,12H2,1-2H3
InChIKeyVJJGDBHCHUTKEU-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.48
Rot. Bonds3

About 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738878) has the molecular formula C10H11FN4S2 and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738878
Molecular FormulaC10H11FN4S2
Molecular Weight270.36 g/mol
Exact Mass270.04
IUPAC Name5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2cc(N)cc(F)c2)s1
InChIInChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-6(11)3-7(12)5-8/h3-5H,12H2,1-2H3
InChIKeyVJJGDBHCHUTKEU-UHFFFAOYSA-N
XLogP2.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738878) is 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2cc(N)cc(F)c2)s1.
What is the InChIKey of 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VJJGDBHCHUTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-6(11)3-7(12)5-8/h3-5H,12H2,1-2H3.
What are the key properties of 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-5-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).