N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide

C28H38N4O4S — CID 4164817

IUPACN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)C4CCCCC4)csc3n2)c1
InChIInChI=1S/C28H38N4O4S/c1-34-23-8-9-26(35-2)24(18-23)25-19-32-22(20-37-28(32)29-25)10-11-31(13-12-30-14-16-36-17-15-30)27(33)21-6-4-3-5-7-21/h8-9,18-21H,3-7,10-17H2,1-2H3
InChIKeyPUCMLGATRFDKRJ-UHFFFAOYSA-N
MW526.70 g/mol
LogP4.36
Rot. Bonds10

About N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (PubChem CID 4164817) has the molecular formula C28H38N4O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
PubChem CID4164817
Molecular FormulaC28H38N4O4S
Molecular Weight526.70 g/mol
Exact Mass526.26
IUPAC NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)C4CCCCC4)csc3n2)c1
InChIInChI=1S/C28H38N4O4S/c1-34-23-8-9-26(35-2)24(18-23)25-19-32-22(20-37-28(32)29-25)10-11-31(13-12-30-14-16-36-17-15-30)27(33)21-6-4-3-5-7-21/h8-9,18-21H,3-7,10-17H2,1-2H3
InChIKeyPUCMLGATRFDKRJ-UHFFFAOYSA-N
XLogP4.36
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.70
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 4172465
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 5202722
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-naphthalen-1-yl-1-(oxolan-2-ylmethyl)urea
CID 3555212
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(4-methylsulfanylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 4071692
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 4099600
3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4129559
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 18583240
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 4685024
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 1138609
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 1138558
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide (CID 4164817) is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is COc1ccc(OC)c(-c2cn3c(CCN(CCN4CCOCC4)C(=O)C4CCCCC4)csc3n2)c1.
What is the InChIKey of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
The InChIKey is PUCMLGATRFDKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4S/c1-34-23-8-9-26(35-2)24(18-23)25-19-32-22(20-37-28(32)29-25)10-11-31(13-12-30-14-16-36-17-15-30)27(33)21-6-4-3-5-7-21/h8-9,18-21H,3-7,10-17H2,1-2H3.
What are the key properties of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide?
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide has a molecular weight of 526.70 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 4164817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).