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

C23H26N6S — CID 58910659

IUPAC1-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
SMILESCCN(CC)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)nc3)cs2)c1
InChIInChI=1S/C23H26N6S/c1-5-28(6-2)19-9-7-16(3)20(11-19)26-23-27-21(14-30-23)18-8-10-22(24-12-18)29-13-17(4)25-15-29/h7-15H,5-6H2,1-4H3,(H,26,27)
InChIKeyLOJZFFMLQBRLPW-UHFFFAOYSA-N
MW418.57 g/mol
LogP5.60
Rot. Bonds7

About 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

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 (PubChem CID 58910659) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID58910659
Molecular FormulaC23H26N6S
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC Name1-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
SMILESCCN(CC)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)nc3)cs2)c1
InChIInChI=1S/C23H26N6S/c1-5-28(6-2)19-9-7-16(3)20(11-19)26-23-27-21(14-30-23)18-8-10-22(24-12-18)29-13-17(4)25-15-29/h7-15H,5-6H2,1-4H3,(H,26,27)
InChIKeyLOJZFFMLQBRLPW-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

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Related Compounds

1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
CID 58910697
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
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
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166635065
N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166626941
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 166633296
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
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
N-(2,6-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166634637
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)nc3)cs2)c1.
What is the InChIKey of 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?
The InChIKey is LOJZFFMLQBRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6S/c1-5-28(6-2)19-9-7-16(3)20(11-19)26-23-27-21(14-30-23)18-8-10-22(24-12-18)29-13-17(4)25-15-29/h7-15H,5-6H2,1-4H3,(H,26,27).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 58910659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).