2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine

C12H19N3S — CID 115334306

IUPAC2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
SMILESCCC(CC)(CN)Cc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyOIVXZXAWXFMSBS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.70
Rot. Bonds5

About 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine

2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine (PubChem CID 115334306) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
PubChem CID115334306
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine
SMILESCCC(CC)(CN)Cc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyOIVXZXAWXFMSBS-UHFFFAOYSA-N
XLogP2.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(chloromethyl)-2-ethylbutyl]imidazo[2,1-b][1,3]thiazole
CID 115335151
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanoic acid
CID 103974531
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-(methoxymethyl)butan-2-ol
CID 115332886
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 115335237
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylbutanoic acid
CID 115332527
3-ethoxy-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-oxopropanoic acid
CID 113360386
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
2-ethoxycarbonyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutanoic acid
CID 103974349
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine (CID 115334306) is 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine is CCC(CC)(CN)Cc1cn2ccsc2n1.
What is the InChIKey of 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine?
The InChIKey is OIVXZXAWXFMSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-12(4-2,9-13)7-10-8-15-5-6-16-11(15)14-10/h5-6,8H,3-4,7,9,13H2,1-2H3.
What are the key properties of 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine?
2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-1-amine is sourced from PubChem (CID 115334306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).