2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C21H23N3O4S — CID 53205387

IUPAC2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOCCNc1c(-c2cc(OC)cc(OC)c2)nc2sc3cc(OC)ccc3n12
InChIInChI=1S/C21H23N3O4S/c1-25-8-7-22-20-19(13-9-15(27-3)11-16(10-13)28-4)23-21-24(20)17-6-5-14(26-2)12-18(17)29-21/h5-6,9-12,22H,7-8H2,1-4H3
InChIKeyRDZSDWNJKQPMRS-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.30
Rot. Bonds8

About 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53205387) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53205387
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOCCNc1c(-c2cc(OC)cc(OC)c2)nc2sc3cc(OC)ccc3n12
InChIInChI=1S/C21H23N3O4S/c1-25-8-7-22-20-19(13-9-15(27-3)11-16(10-13)28-4)23-21-24(20)17-6-5-14(26-2)12-18(17)29-21/h5-6,9-12,22H,7-8H2,1-4H3
InChIKeyRDZSDWNJKQPMRS-UHFFFAOYSA-N
XLogP4.30
TPSA66.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205459
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
2-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205416
4-[6-chloro-1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxyphenol
CID 53205448
6-chloro-2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205447
N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205395
2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53010642
5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 53041160
2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53010641
[5-(2-methoxyethylamino)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53041161
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53205387) is 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is COCCNc1c(-c2cc(OC)cc(OC)c2)nc2sc3cc(OC)ccc3n12.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is RDZSDWNJKQPMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-25-8-7-22-20-19(13-9-15(27-3)11-16(10-13)28-4)23-21-24(20)17-6-5-14(26-2)12-18(17)29-21/h5-6,9-12,22H,7-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 413.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53205387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).