(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine

C11H11N3S — CID 28750467

IUPAC(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
SMILESCc1cccc2sc3nc(CN)cn3c12
InChIInChI=1S/C11H11N3S/c1-7-3-2-4-9-10(7)14-6-8(5-12)13-11(14)15-9/h2-4,6H,5,12H2,1H3
InChIKeyRWJNFFWQOLKTFL-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.32
Rot. Bonds1

About (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine

(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine (PubChem CID 28750467) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
PubChem CID28750467
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
SMILESCc1cccc2sc3nc(CN)cn3c12
InChIInChI=1S/C11H11N3S/c1-7-3-2-4-9-10(7)14-6-8(5-12)13-11(14)15-9/h2-4,6H,5,12H2,1H3
InChIKeyRWJNFFWQOLKTFL-UHFFFAOYSA-N
XLogP2.32
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 10845795
8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10443929
2-(2-chlorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209704
2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209712
2-(4-fluorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209694
(2-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine
CID 82062044
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 19209823
[3-(2,4-dimethylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061943
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892
1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 19209692
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The IUPAC name of (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine (CID 28750467) is (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine.
What is the SMILES notation for (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The canonical SMILES for (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine is Cc1cccc2sc3nc(CN)cn3c12.
What is the InChIKey of (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
The InChIKey is RWJNFFWQOLKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-7-3-2-4-9-10(7)14-6-8(5-12)13-11(14)15-9/h2-4,6H,5,12H2,1H3.
What are the key properties of (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine?
(8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine has a molecular weight of 217.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine is sourced from PubChem (CID 28750467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).