2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole

C6H5N3S3 — CID 18707717

IUPAC2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nccs2)s1
InChIInChI=1S/C6H5N3S3/c1-4-8-9-6(11-4)12-5-7-2-3-10-5/h2-3H,1H3
InChIKeyZZEJHROJISEZEM-UHFFFAOYSA-N
MW215.33 g/mol
LogP2.45
Rot. Bonds2

About 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole

2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole (PubChem CID 18707717) has the molecular formula C6H5N3S3 and a molecular weight of 215.33 g/mol. Its IUPAC name is 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
PubChem CID18707717
Molecular FormulaC6H5N3S3
Molecular Weight215.33 g/mol
Exact Mass214.96
IUPAC Name2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nccs2)s1
InChIInChI=1S/C6H5N3S3/c1-4-8-9-6(11-4)12-5-7-2-3-10-5/h2-3H,1H3
InChIKeyZZEJHROJISEZEM-UHFFFAOYSA-N
XLogP2.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole (CID 18707717) is 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(Sc2nccs2)s1.
What is the InChIKey of 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is ZZEJHROJISEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S3/c1-4-8-9-6(11-4)12-5-7-2-3-10-5/h2-3H,1H3.
What are the key properties of 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 215.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 18707717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).