2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole

C13H8Cl2N4S2 — CID 2746822

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
SMILESClc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
InChIInChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2
InChIKeyBQNXBSYSQXSXPT-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.59
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole

2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole (PubChem CID 2746822) has the molecular formula C13H8Cl2N4S2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
PubChem CID2746822
Molecular FormulaC13H8Cl2N4S2
Molecular Weight355.28 g/mol
Exact Mass353.96
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
SMILESClc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1
InChIInChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2
InChIKeyBQNXBSYSQXSXPT-UHFFFAOYSA-N
XLogP4.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{5-[(2,6-Dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyridine
CID 2731955
2-Benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 2746820
2-[(2-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71451382
2-[(3-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71451383
2-[(4-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71458553
2-[(2,4-Difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71458554
2-[(2-Fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71460400
2-[(2,6-Difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71460401
2-[(4-Methylphenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 2746821
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 71456711
2-[(4-Chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
CID 2746638
2-[(2,6-Dichlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
CID 2746640

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole (CID 2746822) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole is Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)s1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole?
The InChIKey is BQNXBSYSQXSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole?
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole has a molecular weight of 355.28 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 2746822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).