6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

C8H7N5S2 — CID 4576389

IUPAC6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1n[nH]c(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C8H7N5S2/c1-2-14-8-11-6(3-13(1)8)4-15-7-9-5-10-12-7/h1-3,5H,4H2,(H,9,10,12)
InChIKeyCNZBBBYOUSGLRP-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.81
Rot. Bonds3

About 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 4576389) has the molecular formula C8H7N5S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID4576389
Molecular FormulaC8H7N5S2
Molecular Weight237.31 g/mol
Exact Mass237.01
IUPAC Name6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1n[nH]c(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C8H7N5S2/c1-2-14-8-11-6(3-13(1)8)4-15-7-9-5-10-12-7/h1-3,5H,4H2,(H,9,10,12)
InChIKeyCNZBBBYOUSGLRP-UHFFFAOYSA-N
XLogP1.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (CID 4576389) is 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is c1n[nH]c(SCc2cn3ccsc3n2)n1.
What is the InChIKey of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is CNZBBBYOUSGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5S2/c1-2-14-8-11-6(3-13(1)8)4-15-7-9-5-10-12-7/h1-3,5H,4H2,(H,9,10,12).
What are the key properties of 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 237.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4576389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).