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

C11H13FN4S2 — CID 63738887

IUPAC5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cc(F)ccc2N)s1
InChIInChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-6-7-5-8(12)3-4-9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyDAYBXGCUDQNXNN-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.62
Rot. Bonds4

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

5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738887) has the molecular formula C11H13FN4S2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738887
Molecular FormulaC11H13FN4S2
Molecular Weight284.39 g/mol
Exact Mass284.06
IUPAC Name5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCc2cc(F)ccc2N)s1
InChIInChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-6-7-5-8(12)3-4-9(7)13/h3-5H,6,13H2,1-2H3
InChIKeyDAYBXGCUDQNXNN-UHFFFAOYSA-N
XLogP2.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.62
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-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738887) is 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCc2cc(F)ccc2N)s1.
What is the InChIKey of 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DAYBXGCUDQNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S2/c1-16(2)10-14-15-11(18-10)17-6-7-5-8(12)3-4-9(7)13/h3-5H,6,13H2,1-2H3.
What are the key properties of 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-fluorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).