5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole

C7H6N4S2 — CID 130637313

IUPAC5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole
SMILESc1cnc(SCc2cnns2)nc1
InChIInChI=1S/C7H6N4S2/c1-2-8-7(9-3-1)12-5-6-4-10-11-13-6/h1-4H,5H2
InChIKeyHYWYIQFYBHETJK-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.62
Rot. Bonds3

About 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole

5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole (PubChem CID 130637313) has the molecular formula C7H6N4S2 and a molecular weight of 210.29 g/mol. Its IUPAC name is 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole
PubChem CID130637313
Molecular FormulaC7H6N4S2
Molecular Weight210.29 g/mol
Exact Mass210.00
IUPAC Name5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole
SMILESc1cnc(SCc2cnns2)nc1
InChIInChI=1S/C7H6N4S2/c1-2-8-7(9-3-1)12-5-6-4-10-11-13-6/h1-4H,5H2
InChIKeyHYWYIQFYBHETJK-UHFFFAOYSA-N
XLogP1.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole (CID 130637313) is 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole is c1cnc(SCc2cnns2)nc1.
What is the InChIKey of 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole?
The InChIKey is HYWYIQFYBHETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S2/c1-2-8-7(9-3-1)12-5-6-4-10-11-13-6/h1-4H,5H2.
What are the key properties of 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole?
5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole has a molecular weight of 210.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrimidin-2-ylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 130637313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).