[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

C19H23N3O2S — CID 82035158

IUPAC[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc3sc4c(n3c2CN)CCC(C)C4)c1
InChIInChI=1S/C19H23N3O2S/c1-11-4-6-14-17(8-11)25-19-21-18(15(10-20)22(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9,11H,4,6,8,10,20H2,1-3H3
InChIKeyBDNHBJMXEDISED-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.66
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (PubChem CID 82035158) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
PubChem CID82035158
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCOc1ccc(OC)c(-c2nc3sc4c(n3c2CN)CCC(C)C4)c1
InChIInChI=1S/C19H23N3O2S/c1-11-4-6-14-17(8-11)25-19-21-18(15(10-20)22(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9,11H,4,6,8,10,20H2,1-3H3
InChIKeyBDNHBJMXEDISED-UHFFFAOYSA-N
XLogP3.66
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843
[6-(2,5-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961566
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62075863
2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036084
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5138002
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1025352
2-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036345
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (CID 82035158) is [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is COc1ccc(OC)c(-c2nc3sc4c(n3c2CN)CCC(C)C4)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The InChIKey is BDNHBJMXEDISED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-4-6-14-17(8-11)25-19-21-18(15(10-20)22(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9,11H,4,6,8,10,20H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine has a molecular weight of 357.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is sourced from PubChem (CID 82035158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).