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

C24H24N6S — CID 24831962

IUPACN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc(-c5ccccc5)c4)s3)c2)CC1
InChIInChI=1S/C24H24N6S/c1-29-11-13-30(14-12-29)20-8-10-26-23(16-20)28-24-27-17-22(31-24)19-7-9-25-21(15-19)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,26,27,28)
InChIKeyZWTFHDFWLJMJBQ-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.76
Rot. Bonds5

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

N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 24831962) has the molecular formula C24H24N6S and a molecular weight of 428.57 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
PubChem CID24831962
Molecular FormulaC24H24N6S
Molecular Weight428.57 g/mol
Exact Mass428.18
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccnc(Nc3ncc(-c4ccnc(-c5ccccc5)c4)s3)c2)CC1
InChIInChI=1S/C24H24N6S/c1-29-11-13-30(14-12-29)20-8-10-26-23(16-20)28-24-27-17-22(31-24)19-7-9-25-21(15-19)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,26,27,28)
InChIKeyZWTFHDFWLJMJBQ-UHFFFAOYSA-N
XLogP4.76
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-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-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine (CID 24831962) is N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine is CN1CCN(c2ccnc(Nc3ncc(-c4ccnc(-c5ccccc5)c4)s3)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ZWTFHDFWLJMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6S/c1-29-11-13-30(14-12-29)20-8-10-26-23(16-20)28-24-27-17-22(31-24)19-7-9-25-21(15-19)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,26,27,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine?
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 428.57 g/mol, XLogP of 4.76, 5 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-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24831962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).