4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide

C27H31N5O4S2 — CID 22283209

IUPAC4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N5CCOCC5)n4)c3s2)cc1
InChIInChI=1S/C27H31N5O4S2/c1-31(10-13-34-2)16-18-4-6-19(7-5-18)25(33)30-26-29-23-22(35-3)9-8-20(24(23)38-26)21-17-37-27(28-21)32-11-14-36-15-12-32/h4-9,17H,10-16H2,1-3H3,(H,29,30,33)
InChIKeyLXTCGDZSOHYAEN-UHFFFAOYSA-N
MW553.71 g/mol
LogP4.60
Rot. Bonds10

About 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide

4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 22283209) has the molecular formula C27H31N5O4S2 and a molecular weight of 553.71 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID22283209
Molecular FormulaC27H31N5O4S2
Molecular Weight553.71 g/mol
Exact Mass553.18
IUPAC Name4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N5CCOCC5)n4)c3s2)cc1
InChIInChI=1S/C27H31N5O4S2/c1-31(10-13-34-2)16-18-4-6-19(7-5-18)25(33)30-26-29-23-22(35-3)9-8-20(24(23)38-26)21-17-37-27(28-21)32-11-14-36-15-12-32/h4-9,17H,10-16H2,1-3H3,(H,29,30,33)
InChIKeyLXTCGDZSOHYAEN-UHFFFAOYSA-N
XLogP4.60
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.71
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide 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

N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
CID 22283321
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 22719581
N-[4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87471769
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-[[methyl-(2-pyrrolidin-1-ylacetyl)amino]methyl]benzamide
CID 10311603
4-chloro-3-[[ethyl(2-methoxyethyl)amino]methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 10142689
4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide
CID 139975366
N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958362
N-[4-methoxy-7-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 10119715
2-[benzyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217629
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide (CID 22283209) is 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide is COCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N5CCOCC5)n4)c3s2)cc1.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is LXTCGDZSOHYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4S2/c1-31(10-13-34-2)16-18-4-6-19(7-5-18)25(33)30-26-29-23-22(35-3)9-8-20(24(23)38-26)21-17-37-27(28-21)32-11-14-36-15-12-32/h4-9,17H,10-16H2,1-3H3,(H,29,30,33).
What are the key properties of 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide?
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 553.71 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 22283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).