N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide

C13H18N4O2S — CID 61451158

IUPACN,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1nc2sccn2c1C=O
InChIInChI=1S/C13H18N4O2S/c1-4-16(5-2)11(19)8-15(3)12-10(9-18)17-6-7-20-13(17)14-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKOODBQOHBSGEDU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.51
Rot. Bonds6

About N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide

N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide (PubChem CID 61451158) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
PubChem CID61451158
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1nc2sccn2c1C=O
InChIInChI=1S/C13H18N4O2S/c1-4-16(5-2)11(19)8-15(3)12-10(9-18)17-6-7-20-13(17)14-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyKOODBQOHBSGEDU-UHFFFAOYSA-N
XLogP1.51
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
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-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475821
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
CID 55003155
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 39947749
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
6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61411478
6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475814

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide (CID 61451158) is N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide is CCN(CC)C(=O)CN(C)c1nc2sccn2c1C=O.
What is the InChIKey of N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide?
The InChIKey is KOODBQOHBSGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-16(5-2)11(19)8-15(3)12-10(9-18)17-6-7-20-13(17)14-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide?
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide is sourced from PubChem (CID 61451158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).