2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide

C22H24N8S — CID 91044398

IUPAC2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nc3ccc(CNCCN)cn23)nc1-c1ccccc1
InChIInChI=1S/C22H24N8S/c1-14-19(30-12-15(11-26-10-9-23)7-8-17(30)28-14)22-29-18(16-5-3-2-4-6-16)20(31-22)21(25)27-13-24/h2-8,12-13,26H,9-11,23H2,1H3,(H3,24,25,27)
InChIKeyJGSVKIFVAZSRDJ-UHFFFAOYSA-N
MW432.56 g/mol
LogP2.79
Rot. Bonds8

About 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide

2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide (PubChem CID 91044398) has the molecular formula C22H24N8S and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide
PubChem CID91044398
Molecular FormulaC22H24N8S
Molecular Weight432.56 g/mol
Exact Mass432.18
IUPAC Name2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C/N=C(\N)c1sc(-c2c(C)nc3ccc(CNCCN)cn23)nc1-c1ccccc1
InChIInChI=1S/C22H24N8S/c1-14-19(30-12-15(11-26-10-9-23)7-8-17(30)28-14)22-29-18(16-5-3-2-4-6-16)20(31-22)21(25)27-13-24/h2-8,12-13,26H,9-11,23H2,1H3,(H3,24,25,27)
InChIKeyJGSVKIFVAZSRDJ-UHFFFAOYSA-N
XLogP2.79
TPSA130.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide (CID 91044398) is 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide is [H]/N=C/N=C(\N)c1sc(-c2c(C)nc3ccc(CNCCN)cn23)nc1-c1ccccc1.
What is the InChIKey of 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide?
The InChIKey is JGSVKIFVAZSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8S/c1-14-19(30-12-15(11-26-10-9-23)7-8-17(30)28-14)22-29-18(16-5-3-2-4-6-16)20(31-22)21(25)27-13-24/h2-8,12-13,26H,9-11,23H2,1H3,(H3,24,25,27).
What are the key properties of 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide?
2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide has a molecular weight of 432.56 g/mol, XLogP of 2.79, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-aminoethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-N'-methanimidoyl-4-phenyl-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 91044398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).