3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane

C28H34N4O4S — CID 143409798

IUPAC3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane
SMILESCC.COc1ccc(C(=O)NC2=CC=CC=C(c3cn4c(CN5CCOCC5)csc4n3)C2)cc1OC
InChIInChI=1S/C26H28N4O4S.C2H6/c1-32-23-8-7-19(14-24(23)33-2)25(31)27-20-6-4-3-5-18(13-20)22-16-30-21(17-35-26(30)28-22)15-29-9-11-34-12-10-29;1-2/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,27,31);1-2H3
InChIKeyFDNCEVRQQRXGIL-UHFFFAOYSA-N
MW522.67 g/mol
LogP4.93
Rot. Bonds7

About 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane

3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane (PubChem CID 143409798) has the molecular formula C28H34N4O4S and a molecular weight of 522.67 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane.

Molecular Properties

Compound Name3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane
PubChem CID143409798
Molecular FormulaC28H34N4O4S
Molecular Weight522.67 g/mol
Exact Mass522.23
IUPAC Name3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane
SMILESCC.COc1ccc(C(=O)NC2=CC=CC=C(c3cn4c(CN5CCOCC5)csc4n3)C2)cc1OC
InChIInChI=1S/C26H28N4O4S.C2H6/c1-32-23-8-7-19(14-24(23)33-2)25(31)27-20-6-4-3-5-18(13-20)22-16-30-21(17-35-26(30)28-22)15-29-9-11-34-12-10-29;1-2/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,27,31);1-2H3
InChIKeyFDNCEVRQQRXGIL-UHFFFAOYSA-N
XLogP4.93
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-(2-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]morpholine
CID 59680036
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
3-(2,5-dimethylpyrrol-1-yl)-4-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 167947490
4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
CID 102265423
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 4164817
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386987
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 71216505
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680148
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 25108829

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane?
The IUPAC name of 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane (CID 143409798) is 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane.
What is the SMILES notation for 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane?
The canonical SMILES for 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane is CC.COc1ccc(C(=O)NC2=CC=CC=C(c3cn4c(CN5CCOCC5)csc4n3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane?
The InChIKey is FDNCEVRQQRXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S.C2H6/c1-32-23-8-7-19(14-24(23)33-2)25(31)27-20-6-4-3-5-18(13-20)22-16-30-21(17-35-26(30)28-22)15-29-9-11-34-12-10-29;1-2/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,27,31);1-2H3.
What are the key properties of 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane?
3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane has a molecular weight of 522.67 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane is sourced from PubChem (CID 143409798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).