4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one

C10H10N6OS2 — CID 2999842

IUPAC4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2cn3ccsc3n2)n(N)c1=O
InChIInChI=1S/C10H10N6OS2/c1-6-8(17)16(11)10(14-13-6)19-5-7-4-15-2-3-18-9(15)12-7/h2-4H,5,11H2,1H3
InChIKeyXYBLKMSYPQSKEB-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.66
Rot. Bonds3

About 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one

4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one (PubChem CID 2999842) has the molecular formula C10H10N6OS2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one
PubChem CID2999842
Molecular FormulaC10H10N6OS2
Molecular Weight294.37 g/mol
Exact Mass294.04
IUPAC Name4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2cn3ccsc3n2)n(N)c1=O
InChIInChI=1S/C10H10N6OS2/c1-6-8(17)16(11)10(14-13-6)19-5-7-4-15-2-3-18-9(15)12-7/h2-4H,5,11H2,1H3
InChIKeyXYBLKMSYPQSKEB-UHFFFAOYSA-N
XLogP0.66
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one (CID 2999842) is 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one is Cc1nnc(SCc2cn3ccsc3n2)n(N)c1=O.
What is the InChIKey of 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one?
The InChIKey is XYBLKMSYPQSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS2/c1-6-8(17)16(11)10(14-13-6)19-5-7-4-15-2-3-18-9(15)12-7/h2-4H,5,11H2,1H3.
What are the key properties of 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one?
4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one has a molecular weight of 294.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 2999842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).