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

C22H17N5S2 — CID 163214634

IUPACN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1
InChIInChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25)
InChIKeyRFYBAKAFOBAFNR-UHFFFAOYSA-N
MW415.55 g/mol
LogP6.17
Rot. Bonds5

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

N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214634) has the molecular formula C22H17N5S2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214634
Molecular FormulaC22H17N5S2
Molecular Weight415.55 g/mol
Exact Mass415.09
IUPAC NameN-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1
InChIInChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25)
InChIKeyRFYBAKAFOBAFNR-UHFFFAOYSA-N
XLogP6.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-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-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214634) is N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Cc1sc(-c2csc(Nc3ccc(-n4ccnc4)cc3)n2)nc1-c1ccccc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is RFYBAKAFOBAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S2/c1-15-20(16-5-3-2-4-6-16)26-21(29-15)19-13-28-22(25-19)24-17-7-9-18(10-8-17)27-12-11-23-14-27/h2-14H,1H3,(H,24,25).
What are the key properties of N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 415.55 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).