N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine

C22H22N6S — CID 24831466

IUPACN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc5ccccc45)s3)c2)CC1
InChIInChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)16-6-8-24-21(14-16)26-22-25-15-20(29-22)18-7-9-23-19-5-3-2-4-17(18)19/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
InChIKeyMXGQKMYWEDOOGA-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.25
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine

N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine (PubChem CID 24831466) has the molecular formula C22H22N6S and a molecular weight of 402.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine
PubChem CID24831466
Molecular FormulaC22H22N6S
Molecular Weight402.53 g/mol
Exact Mass402.16
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc5ccccc45)s3)c2)CC1
InChIInChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)16-6-8-24-21(14-16)26-22-25-15-20(29-22)18-7-9-23-19-5-3-2-4-17(18)19/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
InChIKeyMXGQKMYWEDOOGA-UHFFFAOYSA-N
XLogP4.25
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine (CID 24831466) is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine is CN1CCN(c2ccnc(Nc3ncc(-c4ccnc5ccccc45)s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine?
The InChIKey is MXGQKMYWEDOOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)16-6-8-24-21(14-16)26-22-25-15-20(29-22)18-7-9-23-19-5-3-2-4-17(18)19/h2-9,14-15H,10-13H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine?
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine has a molecular weight of 402.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-quinolin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 24831466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).