[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C17H21N3S — CID 39197244

IUPAC[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCc1c(C)sc2nc(-c3ccc(C)c(C)c3)c(CN)n12
InChIInChI=1S/C17H21N3S/c1-5-14-12(4)21-17-19-16(15(9-18)20(14)17)13-7-6-10(2)11(3)8-13/h6-8H,5,9,18H2,1-4H3
InChIKeyMTLKNAPGKDBJRI-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.01
Rot. Bonds3

About [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39197244) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39197244
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCCc1c(C)sc2nc(-c3ccc(C)c(C)c3)c(CN)n12
InChIInChI=1S/C17H21N3S/c1-5-14-12(4)21-17-19-16(15(9-18)20(14)17)13-7-6-10(2)11(3)8-13/h6-8H,5,9,18H2,1-4H3
InChIKeyMTLKNAPGKDBJRI-UHFFFAOYSA-N
XLogP4.01
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062667
[6-(4-methoxyphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197044
3-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068806
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068817
6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209833
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062739
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
2-(chloromethyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazole
CID 116867883

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39197244) is [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CCc1c(C)sc2nc(-c3ccc(C)c(C)c3)c(CN)n12.
What is the InChIKey of [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is MTLKNAPGKDBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-5-14-12(4)21-17-19-16(15(9-18)20(14)17)13-7-6-10(2)11(3)8-13/h6-8H,5,9,18H2,1-4H3.
What are the key properties of [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39197244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).