3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline

C23H27N3S — CID 59031055

IUPAC3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1
InChIInChI=1S/C23H27N3S/c1-25(2)19-5-3-4-18(9-19)20-14-27-22-24-21(13-26(20)22)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,13-17H,6-8,10-12H2,1-2H3
InChIKeyVNWQWMNHPJRPFZ-UHFFFAOYSA-N
MW377.56 g/mol
LogP5.60
Rot. Bonds3

About 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline

3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline (PubChem CID 59031055) has the molecular formula C23H27N3S and a molecular weight of 377.56 g/mol. Its IUPAC name is 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline
PubChem CID59031055
Molecular FormulaC23H27N3S
Molecular Weight377.56 g/mol
Exact Mass377.19
IUPAC Name3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1
InChIInChI=1S/C23H27N3S/c1-25(2)19-5-3-4-18(9-19)20-14-27-22-24-21(13-26(20)22)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,13-17H,6-8,10-12H2,1-2H3
InChIKeyVNWQWMNHPJRPFZ-UHFFFAOYSA-N
XLogP5.60
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Pifithrin-Beta
CID 443278
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
7-Phenyl-6-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682235
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
6,7-Diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682254
2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
Sdccgsbi-0096861.P001
CID 3805128
Imidazo[2,1-b]thiazole,5-[4-(methylsulfonyl)phenyl]-6-phenyl-
CID 9928539
4-N,4-N-diethyl-1-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-2-methylbenzene-1,4-diamine
CID 58910757
4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58910950
4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 877648

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline (CID 59031055) is 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline is CN(C)c1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1.
What is the InChIKey of 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline?
The InChIKey is VNWQWMNHPJRPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3S/c1-25(2)19-5-3-4-18(9-19)20-14-27-22-24-21(13-26(20)22)23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,9,13-17H,6-8,10-12H2,1-2H3.
What are the key properties of 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline?
3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline has a molecular weight of 377.56 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 59031055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).