4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C15H13N7S — CID 135687393

IUPAC4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1nc2sccn2c1C1N=C(N)Nc2nc3ccccc3n21
InChIInChI=1S/C15H13N7S/c1-8-11(21-6-7-23-15(21)17-8)12-19-13(16)20-14-18-9-4-2-3-5-10(9)22(12)14/h2-7,12H,1H3,(H3,16,18,19,20)
InChIKeyRDVMKCGSIBNJAN-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.34
Rot. Bonds1

About 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135687393) has the molecular formula C15H13N7S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135687393
Molecular FormulaC15H13N7S
Molecular Weight323.38 g/mol
Exact Mass323.10
IUPAC Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1nc2sccn2c1C1N=C(N)Nc2nc3ccccc3n21
InChIInChI=1S/C15H13N7S/c1-8-11(21-6-7-23-15(21)17-8)12-19-13(16)20-14-18-9-4-2-3-5-10(9)22(12)14/h2-7,12H,1H3,(H3,16,18,19,20)
InChIKeyRDVMKCGSIBNJAN-UHFFFAOYSA-N
XLogP2.34
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135687393) is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is Cc1nc2sccn2c1C1N=C(N)Nc2nc3ccccc3n21.
What is the InChIKey of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is RDVMKCGSIBNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S/c1-8-11(21-6-7-23-15(21)17-8)12-19-13(16)20-14-18-9-4-2-3-5-10(9)22(12)14/h2-7,12H,1H3,(H3,16,18,19,20).
What are the key properties of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135687393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).