2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole

C7H4N6S2 — CID 173438485

IUPAC2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole
SMILESc1csc(-c2n[nH]c(-c3nncs3)n2)n1
InChIInChI=1S/C7H4N6S2/c1-2-14-6(8-1)4-10-5(12-11-4)7-13-9-3-15-7/h1-3H,(H,10,11,12)
InChIKeySZQYABCRYKCUGR-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.45
Rot. Bonds2

About 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole

2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole (PubChem CID 173438485) has the molecular formula C7H4N6S2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole
PubChem CID173438485
Molecular FormulaC7H4N6S2
Molecular Weight236.29 g/mol
Exact Mass235.99
IUPAC Name2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole
SMILESc1csc(-c2n[nH]c(-c3nncs3)n2)n1
InChIInChI=1S/C7H4N6S2/c1-2-14-6(8-1)4-10-5(12-11-4)7-13-9-3-15-7/h1-3H,(H,10,11,12)
InChIKeySZQYABCRYKCUGR-UHFFFAOYSA-N
XLogP1.45
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole (CID 173438485) is 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole is c1csc(-c2n[nH]c(-c3nncs3)n2)n1.
What is the InChIKey of 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole?
The InChIKey is SZQYABCRYKCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6S2/c1-2-14-6(8-1)4-10-5(12-11-4)7-13-9-3-15-7/h1-3H,(H,10,11,12).
What are the key properties of 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole?
2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole has a molecular weight of 236.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 173438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).