6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride

C23H27ClN2O2S — CID 69408524

IUPAC6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCOc1cc(OC)cc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1.Cl
InChIInChI=1S/C23H26N2O2S.ClH/c1-26-18-6-17(7-19(8-18)27-2)20-13-28-22-24-21(12-25(20)22)23-9-14-3-15(10-23)5-16(4-14)11-23;/h6-8,12-16H,3-5,9-11H2,1-2H3;1H
InChIKeyBTKKBHUZBMJOON-UHFFFAOYSA-N
MW431.00 g/mol
LogP5.97
Rot. Bonds4

About 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride

6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 69408524) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID69408524
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCOc1cc(OC)cc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1.Cl
InChIInChI=1S/C23H26N2O2S.ClH/c1-26-18-6-17(7-19(8-18)27-2)20-13-28-22-24-21(12-25(20)22)23-9-14-3-15(10-23)5-16(4-14)11-23;/h6-8,12-16H,3-5,9-11H2,1-2H3;1H
InChIKeyBTKKBHUZBMJOON-UHFFFAOYSA-N
XLogP5.97
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride (CID 69408524) is 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride is COc1cc(OC)cc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1.Cl.
What is the InChIKey of 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is BTKKBHUZBMJOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S.ClH/c1-26-18-6-17(7-19(8-18)27-2)20-13-28-22-24-21(12-25(20)22)23-9-14-3-15(10-23)5-16(4-14)11-23;/h6-8,12-16H,3-5,9-11H2,1-2H3;1H.
What are the key properties of 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 431.00 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 69408524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).