2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide

C12H18N4O2S — CID 61449141

IUPAC2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc2sccn2c1CO
InChIInChI=1S/C12H18N4O2S/c1-4-15(7-10(18)14(2)3)11-9(8-17)16-5-6-19-12(16)13-11/h5-6,17H,4,7-8H2,1-3H3
InChIKeyONNJPEGNGGKTPC-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.80
Rot. Bonds5

About 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide

2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide (PubChem CID 61449141) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
PubChem CID61449141
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc2sccn2c1CO
InChIInChI=1S/C12H18N4O2S/c1-4-15(7-10(18)14(2)3)11-9(8-17)16-5-6-19-12(16)13-11/h5-6,17H,4,7-8H2,1-3H3
InChIKeyONNJPEGNGGKTPC-UHFFFAOYSA-N
XLogP0.80
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953
2-[(2-amino-2-oxoethyl)-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 62923863
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
[6-[bis(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 107870420
[6-[methyl(2-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476005
[6-[methyl(3-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43570324
6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475814
[6-[methyl(3-methylbutyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 61428785
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62923504
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide (CID 61449141) is 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc2sccn2c1CO.
What is the InChIKey of 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide?
The InChIKey is ONNJPEGNGGKTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-15(7-10(18)14(2)3)11-9(8-17)16-5-6-19-12(16)13-11/h5-6,17H,4,7-8H2,1-3H3.
What are the key properties of 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide?
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide has a molecular weight of 282.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 61449141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).