5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole

C24H27N3O2S — CID 71292838

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESCN1CCN(Cc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)CC1
InChIInChI=1S/C24H27N3O2S/c1-26-11-13-27(14-12-26)17-21-16-25-24(30-21)28-20-8-10-23-19(15-20)7-9-22(29-23)18-5-3-2-4-6-18/h2-6,8,10,15-16,22H,7,9,11-14,17H2,1H3
InChIKeyHYLAHQGBJHMDOO-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.75
Rot. Bonds5

About 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole

5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (PubChem CID 71292838) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
PubChem CID71292838
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole
SMILESCN1CCN(Cc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)CC1
InChIInChI=1S/C24H27N3O2S/c1-26-11-13-27(14-12-26)17-21-16-25-24(30-21)28-20-8-10-23-19(15-20)7-9-22(29-23)18-5-3-2-4-6-18/h2-6,8,10,15-16,22H,7,9,11-14,17H2,1H3
InChIKeyHYLAHQGBJHMDOO-UHFFFAOYSA-N
XLogP4.75
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole (CID 71292838) is 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is CN1CCN(Cc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
The InChIKey is HYLAHQGBJHMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-26-11-13-27(14-12-26)17-21-16-25-24(30-21)28-20-8-10-23-19(15-20)7-9-22(29-23)18-5-3-2-4-6-18/h2-6,8,10,15-16,22H,7,9,11-14,17H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole?
5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole has a molecular weight of 421.57 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 71292838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).