5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C7H6ClN5S2 — CID 103054951

IUPAC5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C7H6ClN5S2/c8-5-2-10-4(1-11-5)3-14-7-13-12-6(9)15-7/h1-2H,3H2,(H2,9,12)
InChIKeyVIWBDNOFPOCDOE-UHFFFAOYSA-N
MW259.75 g/mol
LogP1.86
Rot. Bonds3

About 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103054951) has the molecular formula C7H6ClN5S2 and a molecular weight of 259.75 g/mol. Its IUPAC name is 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID103054951
Molecular FormulaC7H6ClN5S2
Molecular Weight259.75 g/mol
Exact Mass258.98
IUPAC Name5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C7H6ClN5S2/c8-5-2-10-4(1-11-5)3-14-7-13-12-6(9)15-7/h1-2H,3H2,(H2,9,12)
InChIKeyVIWBDNOFPOCDOE-UHFFFAOYSA-N
XLogP1.86
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 103054951) is 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cnc(Cl)cn2)s1.
What is the InChIKey of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VIWBDNOFPOCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S2/c8-5-2-10-4(1-11-5)3-14-7-13-12-6(9)15-7/h1-2H,3H2,(H2,9,12).
What are the key properties of 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 259.75 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103054951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).