4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole

C15H13N7S — CID 169258661

IUPAC4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole
SMILESCc1csc(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)n1
InChIInChI=1S/C15H13N7S/c1-9-7-23-14(19-9)12-13(21-5-4-16-15(21)20-12)10-2-3-11-17-8-18-22(11)6-10/h2-3,6-8H,4-5H2,1H3,(H,16,20)
InChIKeyIJIDZCPVFWGFLN-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.45
Rot. Bonds2

About 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole

4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole (PubChem CID 169258661) has the molecular formula C15H13N7S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole
PubChem CID169258661
Molecular FormulaC15H13N7S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole
SMILESCc1csc(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)n1
InChIInChI=1S/C15H13N7S/c1-9-7-23-14(19-9)12-13(21-5-4-16-15(21)20-12)10-2-3-11-17-8-18-22(11)6-10/h2-3,6-8H,4-5H2,1H3,(H,16,20)
InChIKeyIJIDZCPVFWGFLN-UHFFFAOYSA-N
XLogP2.45
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole (CID 169258661) is 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole is Cc1csc(-c2nc3n(c2-c2ccc4ncnn4c2)CCN3)n1.
What is the InChIKey of 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole?
The InChIKey is IJIDZCPVFWGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S/c1-9-7-23-14(19-9)12-13(21-5-4-16-15(21)20-12)10-2-3-11-17-8-18-22(11)6-10/h2-3,6-8H,4-5H2,1H3,(H,16,20).
What are the key properties of 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole?
4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole has a molecular weight of 323.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-6-yl]-1,3-thiazole is sourced from PubChem (CID 169258661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).