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

C10H11FN4S2 — CID 63737113

IUPAC5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(N)cc2F)s1
InChIInChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-3-6(12)5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyNXRXAEUXCYPUSV-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.48
Rot. Bonds3

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

5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737113) has the molecular formula C10H11FN4S2 and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737113
Molecular FormulaC10H11FN4S2
Molecular Weight270.36 g/mol
Exact Mass270.04
IUPAC Name5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc(N)cc2F)s1
InChIInChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-3-6(12)5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyNXRXAEUXCYPUSV-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-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737113) is 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ccc(N)cc2F)s1.
What is the InChIKey of 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NXRXAEUXCYPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S2/c1-15(2)9-13-14-10(17-9)16-8-4-3-6(12)5-7(8)11/h3-5H,12H2,1-2H3.
What are the key properties of 5-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-amino-2-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-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).