4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole

C22H21N5S — CID 154585953

IUPAC4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole
SMILESCN1CCN(c2nc(-c3csc(-c4ccncc4)n3)cc3ccccc23)CC1
InChIInChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-18-5-3-2-4-17(18)14-19(24-21)20-15-28-22(25-20)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyRAZSVTHADKKDNM-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.17
Rot. Bonds3

About 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole

4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole (PubChem CID 154585953) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole
PubChem CID154585953
Molecular FormulaC22H21N5S
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole
SMILESCN1CCN(c2nc(-c3csc(-c4ccncc4)n3)cc3ccccc23)CC1
InChIInChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-18-5-3-2-4-17(18)14-19(24-21)20-15-28-22(25-20)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyRAZSVTHADKKDNM-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole (CID 154585953) is 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole is CN1CCN(c2nc(-c3csc(-c4ccncc4)n3)cc3ccccc23)CC1.
What is the InChIKey of 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is RAZSVTHADKKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-18-5-3-2-4-17(18)14-19(24-21)20-15-28-22(25-20)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole?
4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 387.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 154585953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).