6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C22H25ClN4OS — CID 53205459

IUPAC6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCN(CC)c1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1
InChIInChI=1S/C22H25ClN4OS/c1-4-26(5-2)17-9-6-15(7-10-17)20-21(24-12-13-28-3)27-18-11-8-16(23)14-19(18)29-22(27)25-20/h6-11,14,24H,4-5,12-13H2,1-3H3
InChIKeyGVVDKGDDFYBYOS-UHFFFAOYSA-N
MW428.99 g/mol
LogP5.77
Rot. Bonds8

About 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53205459) has the molecular formula C22H25ClN4OS and a molecular weight of 428.99 g/mol. Its IUPAC name is 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53205459
Molecular FormulaC22H25ClN4OS
Molecular Weight428.99 g/mol
Exact Mass428.14
IUPAC Name6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCCN(CC)c1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1
InChIInChI=1S/C22H25ClN4OS/c1-4-26(5-2)17-9-6-15(7-10-17)20-21(24-12-13-28-3)27-18-11-8-16(23)14-19(18)29-22(27)25-20/h6-11,14,24H,4-5,12-13H2,1-3H3
InChIKeyGVVDKGDDFYBYOS-UHFFFAOYSA-N
XLogP5.77
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.99
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205447
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
4-[6-chloro-1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxyphenol
CID 53205448
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
2-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53010641
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-(2,5-dimethylphenyl)-6-ethoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205416
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
ethyl N-[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]-N-ethoxycarbonylcarbamate
CID 12831515
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
N-tert-butyl-4-[(6-chloro-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazine-1-carboxamide
CID 42811291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53205459) is 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is CCN(CC)c1ccc(-c2nc3sc4cc(Cl)ccc4n3c2NCCOC)cc1.
What is the InChIKey of 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is GVVDKGDDFYBYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4OS/c1-4-26(5-2)17-9-6-15(7-10-17)20-21(24-12-13-28-3)27-18-11-8-16(23)14-19(18)29-22(27)25-20/h6-11,14,24H,4-5,12-13H2,1-3H3.
What are the key properties of 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 428.99 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53205459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).