2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole

C7H5ClN4S2 — CID 11322529

IUPAC2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2cncc(Cl)n2)s1
InChIInChI=1S/C7H5ClN4S2/c1-13-7-12-11-6(14-7)4-2-9-3-5(8)10-4/h2-3H,1H3
InChIKeyVMPKGDUMTLIMAW-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.37
Rot. Bonds2

About 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole

2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 11322529) has the molecular formula C7H5ClN4S2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID11322529
Molecular FormulaC7H5ClN4S2
Molecular Weight244.73 g/mol
Exact Mass243.96
IUPAC Name2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2cncc(Cl)n2)s1
InChIInChI=1S/C7H5ClN4S2/c1-13-7-12-11-6(14-7)4-2-9-3-5(8)10-4/h2-3H,1H3
InChIKeyVMPKGDUMTLIMAW-UHFFFAOYSA-N
XLogP2.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 11322529) is 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(-c2cncc(Cl)n2)s1.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is VMPKGDUMTLIMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S2/c1-13-7-12-11-6(14-7)4-2-9-3-5(8)10-4/h2-3H,1H3.
What are the key properties of 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 244.73 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 11322529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).