N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C21H28N4O4S — CID 108787682

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C21H28N4O4S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-20(26)11-15-14-30-21-22-5-6-25(15)21/h12-14H,3-11H2,1-2H3,(H,23,26)
InChIKeyCIQNOGGPWBLGCB-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.91
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 108787682) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID108787682
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C21H28N4O4S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-20(26)11-15-14-30-21-22-5-6-25(15)21/h12-14H,3-11H2,1-2H3,(H,23,26)
InChIKeyCIQNOGGPWBLGCB-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108787625
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 108787682) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CC1=CSC2=NCCN12.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is CIQNOGGPWBLGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-20(26)11-15-14-30-21-22-5-6-25(15)21/h12-14H,3-11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 108787682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).