1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine

C24H27N5S — CID 58910697

IUPAC1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
SMILESCCCN(C)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3)cs2)c1
InChIInChI=1S/C24H27N5S/c1-5-12-28(4)21-9-6-17(2)22(13-21)26-24-27-23(15-30-24)19-7-10-20(11-8-19)29-14-18(3)25-16-29/h6-11,13-16H,5,12H2,1-4H3,(H,26,27)
InChIKeyAJUJIPMTEMERKS-UHFFFAOYSA-N
MW417.58 g/mol
LogP6.20
Rot. Bonds7

About 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine

1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine (PubChem CID 58910697) has the molecular formula C24H27N5S and a molecular weight of 417.58 g/mol. Its IUPAC name is 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
PubChem CID58910697
Molecular FormulaC24H27N5S
Molecular Weight417.58 g/mol
Exact Mass417.20
IUPAC Name1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
SMILESCCCN(C)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3)cs2)c1
InChIInChI=1S/C24H27N5S/c1-5-12-28(4)21-9-6-17(2)22(13-21)26-24-27-23(15-30-24)19-7-10-20(11-8-19)29-14-18(3)25-16-29/h6-11,13-16H,5,12H2,1-4H3,(H,26,27)
InChIKeyAJUJIPMTEMERKS-UHFFFAOYSA-N
XLogP6.20
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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,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
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
3-N-(1-tert-butylsulfanylethyl)-2,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 59429786
[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
CID 53485878
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
N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166626941
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166635065
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 166633296
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

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine?
The IUPAC name of 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) is 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine is CCCN(C)c1ccc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)cc3)cs2)c1.
What is the InChIKey of 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine?
The InChIKey is AJUJIPMTEMERKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5S/c1-5-12-28(4)21-9-6-17(2)22(13-21)26-24-27-23(15-30-24)19-7-10-20(11-8-19)29-14-18(3)25-16-29/h6-11,13-16H,5,12H2,1-4H3,(H,26,27).
What are the key properties of 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine?
1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine has a molecular weight of 417.58 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 58910697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).