2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole

C13H16N4S — CID 136709710

IUPAC2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole
SMILESc1csc(C2CCNc3nc4c(n32)CCCC4)n1
InChIInChI=1S/C13H16N4S/c1-2-4-10-9(3-1)16-13-15-6-5-11(17(10)13)12-14-7-8-18-12/h7-8,11H,1-6H2,(H,15,16)
InChIKeyXLXRQGNUVYXFCM-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.62
Rot. Bonds1

About 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole

2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole (PubChem CID 136709710) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole
PubChem CID136709710
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole
SMILESc1csc(C2CCNc3nc4c(n32)CCCC4)n1
InChIInChI=1S/C13H16N4S/c1-2-4-10-9(3-1)16-13-15-6-5-11(17(10)13)12-14-7-8-18-12/h7-8,11H,1-6H2,(H,15,16)
InChIKeyXLXRQGNUVYXFCM-UHFFFAOYSA-N
XLogP2.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole (CID 136709710) is 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole is c1csc(C2CCNc3nc4c(n32)CCCC4)n1.
What is the InChIKey of 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole?
The InChIKey is XLXRQGNUVYXFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-4-10-9(3-1)16-13-15-6-5-11(17(10)13)12-14-7-8-18-12/h7-8,11H,1-6H2,(H,15,16).
What are the key properties of 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole?
2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 136709710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).