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

C7H5ClN4S2 — CID 103055027

IUPAC2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESClc1cnc(CSc2nncs2)cn1
InChIInChI=1S/C7H5ClN4S2/c8-6-2-9-5(1-10-6)3-13-7-12-11-4-14-7/h1-2,4H,3H2
InChIKeyFQDSPZYJWAIWLI-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.27
Rot. Bonds3

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

2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 103055027) has the molecular formula C7H5ClN4S2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID103055027
Molecular FormulaC7H5ClN4S2
Molecular Weight244.73 g/mol
Exact Mass243.96
IUPAC Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESClc1cnc(CSc2nncs2)cn1
InChIInChI=1S/C7H5ClN4S2/c8-6-2-9-5(1-10-6)3-13-7-12-11-4-14-7/h1-2,4H,3H2
InChIKeyFQDSPZYJWAIWLI-UHFFFAOYSA-N
XLogP2.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 103055027) is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole is Clc1cnc(CSc2nncs2)cn1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is FQDSPZYJWAIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S2/c8-6-2-9-5(1-10-6)3-13-7-12-11-4-14-7/h1-2,4H,3H2.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 244.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 103055027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).