2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

C6H3Cl2N5S2 — CID 62870633

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(Cl)nc(Cl)n2)s1
InChIInChI=1S/C6H3Cl2N5S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3
InChIKeyMGGBSYZDNVVPLI-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.49
Rot. Bonds2

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 62870633) has the molecular formula C6H3Cl2N5S2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID62870633
Molecular FormulaC6H3Cl2N5S2
Molecular Weight280.17 g/mol
Exact Mass278.92
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(Cl)nc(Cl)n2)s1
InChIInChI=1S/C6H3Cl2N5S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3
InChIKeyMGGBSYZDNVVPLI-UHFFFAOYSA-N
XLogP2.49
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole (CID 62870633) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2nc(Cl)nc(Cl)n2)s1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is MGGBSYZDNVVPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N5S2/c1-2-12-13-6(14-2)15-5-10-3(7)9-4(8)11-5/h1H3.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 280.17 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 62870633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).