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

C8H9FN6S2 — CID 80882418

IUPAC5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(N)ncc2F)s1
InChIInChI=1S/C8H9FN6S2/c1-15(2)7-13-14-8(17-7)16-5-4(9)3-11-6(10)12-5/h3H,1-2H3,(H2,10,11,12)
InChIKeyXXTNLXQEWFYFFH-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.27
Rot. Bonds3

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

5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80882418) has the molecular formula C8H9FN6S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80882418
Molecular FormulaC8H9FN6S2
Molecular Weight272.33 g/mol
Exact Mass272.03
IUPAC Name5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(N)ncc2F)s1
InChIInChI=1S/C8H9FN6S2/c1-15(2)7-13-14-8(17-7)16-5-4(9)3-11-6(10)12-5/h3H,1-2H3,(H2,10,11,12)
InChIKeyXXTNLXQEWFYFFH-UHFFFAOYSA-N
XLogP1.27
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80882418) is 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2nc(N)ncc2F)s1.
What is the InChIKey of 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XXTNLXQEWFYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6S2/c1-15(2)7-13-14-8(17-7)16-5-4(9)3-11-6(10)12-5/h3H,1-2H3,(H2,10,11,12).
What are the key properties of 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 272.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80882418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).