N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine

C20H20N4OS — CID 166629295

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(NC3=NCCN3)n2)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-17(14(2)11-13)25-18-6-4-3-5-15(18)16-12-26-20(23-16)24-19-21-9-10-22-19/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyJZAOUXWCSUQMPT-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.59
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 166629295) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID166629295
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Oc2ccccc2-c2csc(NC3=NCCN3)n2)c(C)c1
InChIInChI=1S/C20H20N4OS/c1-13-7-8-17(14(2)11-13)25-18-6-4-3-5-15(18)16-12-26-20(23-16)24-19-21-9-10-22-19/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyJZAOUXWCSUQMPT-UHFFFAOYSA-N
XLogP4.59
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine (CID 166629295) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine is Cc1ccc(Oc2ccccc2-c2csc(NC3=NCCN3)n2)c(C)c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is JZAOUXWCSUQMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-7-8-17(14(2)11-13)25-18-6-4-3-5-15(18)16-12-26-20(23-16)24-19-21-9-10-22-19/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 364.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166629295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).