2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide

C12H16N4O2S — CID 55003155

IUPAC2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc2sccn2c1C=O
InChIInChI=1S/C12H16N4O2S/c1-8(2)5-15(6-10(13)18)11-9(7-17)16-3-4-19-12(16)14-11/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18)
InChIKeyPDUYRIKOIXJMNI-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.16
Rot. Bonds6

About 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide

2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 55003155) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
PubChem CID55003155
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc2sccn2c1C=O
InChIInChI=1S/C12H16N4O2S/c1-8(2)5-15(6-10(13)18)11-9(7-17)16-3-4-19-12(16)14-11/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18)
InChIKeyPDUYRIKOIXJMNI-UHFFFAOYSA-N
XLogP1.16
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[6-[(2-amino-2-oxoethyl)-ethylamino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 103103308
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
CID 61451158
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
CID 43475589
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62923504
2-[(2-amino-2-oxoethyl)-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 62923863
6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63983441
2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63059665
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
2-[(2-amino-2-oxoethyl)-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 62922613

Frequently Asked Questions

What is the IUPAC name of 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide (CID 55003155) is 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1nc2sccn2c1C=O.
What is the InChIKey of 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is PDUYRIKOIXJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8(2)5-15(6-10(13)18)11-9(7-17)16-3-4-19-12(16)14-11/h3-4,7-8H,5-6H2,1-2H3,(H2,13,18).
What are the key properties of 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide?
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 55003155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).