(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine

C12H13N3OS — CID 28750479

IUPAC(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
SMILESCCOc1ccc2c(c1)sc1nc(CN)cn12
InChIInChI=1S/C12H13N3OS/c1-2-16-9-3-4-10-11(5-9)17-12-14-8(6-13)7-15(10)12/h3-5,7H,2,6,13H2,1H3
InChIKeyXQNVXRDWYPRDDQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.41
Rot. Bonds3

About (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine

(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine (PubChem CID 28750479) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
PubChem CID28750479
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
SMILESCCOc1ccc2c(c1)sc1nc(CN)cn12
InChIInChI=1S/C12H13N3OS/c1-2-16-9-3-4-10-11(5-9)17-12-14-8(6-13)7-15(10)12/h3-5,7H,2,6,13H2,1H3
InChIKeyXQNVXRDWYPRDDQ-UHFFFAOYSA-N
XLogP2.41
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
CID 82167442
6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
CID 66803372
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 12720089
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
2-(hydroxymethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 166039212
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642

Frequently Asked Questions

What is the IUPAC name of (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The IUPAC name of (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine (CID 28750479) is (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine.
What is the SMILES notation for (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The canonical SMILES for (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine is CCOc1ccc2c(c1)sc1nc(CN)cn12.
What is the InChIKey of (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The InChIKey is XQNVXRDWYPRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-16-9-3-4-10-11(5-9)17-12-14-8(6-13)7-15(10)12/h3-5,7H,2,6,13H2,1H3.
What are the key properties of (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine is sourced from PubChem (CID 28750479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).