6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine

C15H15N3O2S — CID 82068822

IUPAC6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1c(C)sc2nc(-c3ccc4c(c3)OCO4)c(N)n12
InChIInChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15-17-13(14(16)18(10)15)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,16H2,1-2H3
InChIKeyHFGXETMXUUXTEV-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.24
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine

6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 82068822) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID82068822
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1c(C)sc2nc(-c3ccc4c(c3)OCO4)c(N)n12
InChIInChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15-17-13(14(16)18(10)15)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,16H2,1-2H3
InChIKeyHFGXETMXUUXTEV-UHFFFAOYSA-N
XLogP3.24
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068817
[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197244
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
5-[[2-amino-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]sulfanyl]-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
CID 122372421
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035422
O-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 39377180
ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-formyl-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036157

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 82068822) is 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine is CCc1c(C)sc2nc(-c3ccc4c(c3)OCO4)c(N)n12.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is HFGXETMXUUXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-10-8(2)21-15-17-13(14(16)18(10)15)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,16H2,1-2H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 301.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82068822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).