5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H13FN4S2 — CID 126830138

IUPAC5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(N(C)C)s1)c1ccc(F)nc1
InChIInChI=1S/C11H13FN4S2/c1-7(8-4-5-9(12)13-6-8)17-11-15-14-10(18-11)16(2)3/h4-7H,1-3H3
InChIKeyRRQDCSXEJJWGFX-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.99
Rot. Bonds4

About 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 126830138) has the molecular formula C11H13FN4S2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID126830138
Molecular FormulaC11H13FN4S2
Molecular Weight284.39 g/mol
Exact Mass284.06
IUPAC Name5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(N(C)C)s1)c1ccc(F)nc1
InChIInChI=1S/C11H13FN4S2/c1-7(8-4-5-9(12)13-6-8)17-11-15-14-10(18-11)16(2)3/h4-7H,1-3H3
InChIKeyRRQDCSXEJJWGFX-UHFFFAOYSA-N
XLogP2.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 126830138) is 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(Sc1nnc(N(C)C)s1)c1ccc(F)nc1.
What is the InChIKey of 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RRQDCSXEJJWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S2/c1-7(8-4-5-9(12)13-6-8)17-11-15-14-10(18-11)16(2)3/h4-7H,1-3H3.
What are the key properties of 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126830138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).