[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C25H21N3OS — CID 82367642

IUPAC[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2ccc(-c3nc4sc(-c5ccccc5)cn4c3CN)cc2)cc1
InChIInChI=1S/C25H21N3OS/c1-29-21-13-11-18(12-14-21)17-7-9-20(10-8-17)24-22(15-26)28-16-23(30-25(28)27-24)19-5-3-2-4-6-19/h2-14,16H,15,26H2,1H3
InChIKeyGHJJXCZENCOGSU-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.86
Rot. Bonds5

About [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 82367642) has the molecular formula C25H21N3OS and a molecular weight of 411.53 g/mol. Its IUPAC name is [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID82367642
Molecular FormulaC25H21N3OS
Molecular Weight411.53 g/mol
Exact Mass411.14
IUPAC Name[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCOc1ccc(-c2ccc(-c3nc4sc(-c5ccccc5)cn4c3CN)cc2)cc1
InChIInChI=1S/C25H21N3OS/c1-29-21-13-11-18(12-14-21)17-7-9-20(10-8-17)24-22(15-26)28-16-23(30-25(28)27-24)19-5-3-2-4-6-19/h2-14,16H,15,26H2,1H3
InChIKeyGHJJXCZENCOGSU-UHFFFAOYSA-N
XLogP5.86
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367621
[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367601
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367613
[6-(4-chlorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367605
[2-phenyl-6-(4-propylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367652
[6-(3,4-dimethoxyphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367681
[6-(4-tert-butylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82367673
[6-(4-methoxyphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197044
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155280682
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 82367642) is [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is COc1ccc(-c2ccc(-c3nc4sc(-c5ccccc5)cn4c3CN)cc2)cc1.
What is the InChIKey of [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is GHJJXCZENCOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3OS/c1-29-21-13-11-18(12-14-21)17-7-9-20(10-8-17)24-22(15-26)28-16-23(30-25(28)27-24)19-5-3-2-4-6-19/h2-14,16H,15,26H2,1H3.
What are the key properties of [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 411.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-methoxyphenyl)phenyl]-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 82367642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).