3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C25H28N4O4S — CID 71216505

IUPAC3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C2CN3C(CN4CCOCC4)=CSC3=N2)cc1OC
InChIInChI=1S/C25H28N4O4S/c1-31-22-8-7-17(13-23(22)32-2)24(30)26-20-6-4-3-5-19(20)21-15-29-18(16-34-25(29)27-21)14-28-9-11-33-12-10-28/h3-8,13,16,21H,9-12,14-15H2,1-2H3,(H,26,30)
InChIKeyYQLVDBZSYWTGIQ-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.59
Rot. Bonds7

About 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 71216505) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID71216505
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C2CN3C(CN4CCOCC4)=CSC3=N2)cc1OC
InChIInChI=1S/C25H28N4O4S/c1-31-22-8-7-17(13-23(22)32-2)24(30)26-20-6-4-3-5-19(20)21-15-29-18(16-34-25(29)27-21)14-28-9-11-33-12-10-28/h3-8,13,16,21H,9-12,14-15H2,1-2H3,(H,26,30)
InChIKeyYQLVDBZSYWTGIQ-UHFFFAOYSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 71216557
2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 71217870
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
CID 71216554
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
N-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-carboxamide
CID 53040738
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 71216505) is 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C2CN3C(CN4CCOCC4)=CSC3=N2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is YQLVDBZSYWTGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-31-22-8-7-17(13-23(22)32-2)24(30)26-20-6-4-3-5-19(20)21-15-29-18(16-34-25(29)27-21)14-28-9-11-33-12-10-28/h3-8,13,16,21H,9-12,14-15H2,1-2H3,(H,26,30).
What are the key properties of 3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.59, 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-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 71216505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).