3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine

C23H26N6S — CID 58910762

IUPAC3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine
SMILESCCN(CC)c1cc(Nc2nc(-c3ccc(-n4ccnc4)nc3)cs2)c(C)cc1C
InChIInChI=1S/C23H26N6S/c1-5-28(6-2)21-12-19(16(3)11-17(21)4)26-23-27-20(14-30-23)18-7-8-22(25-13-18)29-10-9-24-15-29/h7-15H,5-6H2,1-4H3,(H,26,27)
InChIKeyQUOFUWRFQZVLSE-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.60
Rot. Bonds7

About 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine

3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine (PubChem CID 58910762) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine
PubChem CID58910762
Molecular FormulaC23H26N6S
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC Name3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine
SMILESCCN(CC)c1cc(Nc2nc(-c3ccc(-n4ccnc4)nc3)cs2)c(C)cc1C
InChIInChI=1S/C23H26N6S/c1-5-28(6-2)21-12-19(16(3)11-17(21)4)26-23-27-20(14-30-23)18-7-8-22(25-13-18)29-10-9-24-15-29/h7-15H,5-6H2,1-4H3,(H,26,27)
InChIKeyQUOFUWRFQZVLSE-UHFFFAOYSA-N
XLogP5.60
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine with MolForge

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Related Compounds

1-N,1-N-diethyl-4-methyl-3-N-[4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910659
3-N-ethyl-3-N,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910975
1-N-(3-ethyl-6-methyl-2-pyridinyl)-3-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 58910776
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(3-phenylimidazol-1-ium-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58910537
N-(4-butyl-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791492
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 87041098
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
CID 155187624
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
CID 58910753
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910748
N-[6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 90467537

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine (CID 58910762) is 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine is CCN(CC)c1cc(Nc2nc(-c3ccc(-n4ccnc4)nc3)cs2)c(C)cc1C.
What is the InChIKey of 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine?
The InChIKey is QUOFUWRFQZVLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6S/c1-5-28(6-2)21-12-19(16(3)11-17(21)4)26-23-27-20(14-30-23)18-7-8-22(25-13-18)29-10-9-24-15-29/h7-15H,5-6H2,1-4H3,(H,26,27).
What are the key properties of 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine?
3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine has a molecular weight of 418.57 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-[4-(6-imidazol-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]-4,6-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 58910762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).