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

C8H7ClN4S3 — CID 103055112

IUPAC2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C8H7ClN4S3/c1-14-7-12-13-8(16-7)15-4-5-2-11-6(9)3-10-5/h2-3H,4H2,1H3
InChIKeyYNLIPGCUMGDITH-UHFFFAOYSA-N
MW290.83 g/mol
LogP3.00
Rot. Bonds4

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

2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 103055112) has the molecular formula C8H7ClN4S3 and a molecular weight of 290.83 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID103055112
Molecular FormulaC8H7ClN4S3
Molecular Weight290.83 g/mol
Exact Mass289.95
IUPAC Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(SCc2cnc(Cl)cn2)s1
InChIInChI=1S/C8H7ClN4S3/c1-14-7-12-13-8(16-7)15-4-5-2-11-6(9)3-10-5/h2-3H,4H2,1H3
InChIKeyYNLIPGCUMGDITH-UHFFFAOYSA-N
XLogP3.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole (CID 103055112) is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(SCc2cnc(Cl)cn2)s1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is YNLIPGCUMGDITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S3/c1-14-7-12-13-8(16-7)15-4-5-2-11-6(9)3-10-5/h2-3H,4H2,1H3.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole?
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 290.83 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 103055112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).