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

C24H26N6S — CID 58910706

IUPAC4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CCN(C)CC2)cc1Nc1nc(-c2ccc(-n3ccnc3)cc2)cs1
InChIInChI=1S/C24H26N6S/c1-18-3-6-21(29-13-11-28(2)12-14-29)15-22(18)26-24-27-23(16-31-24)19-4-7-20(8-5-19)30-10-9-25-17-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,27)
InChIKeyVOYKCYXUQDKGQP-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.80
Rot. Bonds5

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

4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58910706) has the molecular formula C24H26N6S and a molecular weight of 430.58 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID58910706
Molecular FormulaC24H26N6S
Molecular Weight430.58 g/mol
Exact Mass430.19
IUPAC Name4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CCN(C)CC2)cc1Nc1nc(-c2ccc(-n3ccnc3)cc2)cs1
InChIInChI=1S/C24H26N6S/c1-18-3-6-21(29-13-11-28(2)12-14-29)15-22(18)26-24-27-23(16-31-24)19-4-7-20(8-5-19)30-10-9-25-17-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,27)
InChIKeyVOYKCYXUQDKGQP-UHFFFAOYSA-N
XLogP4.80
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-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 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (CID 58910706) is 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1ccc(N2CCN(C)CC2)cc1Nc1nc(-c2ccc(-n3ccnc3)cc2)cs1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is VOYKCYXUQDKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6S/c1-18-3-6-21(29-13-11-28(2)12-14-29)15-22(18)26-24-27-23(16-31-24)19-4-7-20(8-5-19)30-10-9-25-17-30/h3-10,15-17H,11-14H2,1-2H3,(H,26,27).
What are the key properties of 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 430.58 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58910706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).