N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine

C23H27N3O3S — CID 53205395

IUPACN-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NC(C)(C)C)cc1OC
InChIInChI=1S/C23H27N3O3S/c1-7-29-17-11-8-14(12-18(17)28-6)20-21(25-23(2,3)4)26-16-10-9-15(27-5)13-19(16)30-22(26)24-20/h8-13,25H,7H2,1-6H3
InChIKeyXERWAFAVYVWVTL-UHFFFAOYSA-N
MW425.55 g/mol
LogP5.84
Rot. Bonds6

About N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine

N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53205395) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53205395
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NC(C)(C)C)cc1OC
InChIInChI=1S/C23H27N3O3S/c1-7-29-17-11-8-14(12-18(17)28-6)20-21(25-23(2,3)4)26-16-10-9-15(27-5)13-19(16)30-22(26)24-20/h8-13,25H,7H2,1-6H3
InChIKeyXERWAFAVYVWVTL-UHFFFAOYSA-N
XLogP5.84
TPSA57.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
4-[6-chloro-1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxyphenol
CID 53205448
2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205416
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53010642
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53205395) is N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine is CCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NC(C)(C)C)cc1OC.
What is the InChIKey of N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is XERWAFAVYVWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-7-29-17-11-8-14(12-18(17)28-6)20-21(25-23(2,3)4)26-16-10-9-15(27-5)13-19(16)30-22(26)24-20/h8-13,25H,7H2,1-6H3.
What are the key properties of N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine?
N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 425.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53205395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).