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

C23H25N5O3S2 — CID 22283321

IUPACN-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N)n4)c3s2)cc1
InChIInChI=1S/C23H25N5O3S2/c1-28(10-11-30-2)12-14-4-6-15(7-5-14)21(29)27-23-26-19-18(31-3)9-8-16(20(19)33-23)17-13-32-22(24)25-17/h4-9,13H,10-12H2,1-3H3,(H2,24,25)(H,26,27,29)
InChIKeyMLIKRVZMNAYOEC-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.34
Rot. Bonds9

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

N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide (PubChem CID 22283321) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
PubChem CID22283321
Molecular FormulaC23H25N5O3S2
Molecular Weight483.62 g/mol
Exact Mass483.14
IUPAC NameN-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
SMILESCOCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N)n4)c3s2)cc1
InChIInChI=1S/C23H25N5O3S2/c1-28(10-11-30-2)12-14-4-6-15(7-5-14)21(29)27-23-26-19-18(31-3)9-8-16(20(19)33-23)17-13-32-22(24)25-17/h4-9,13H,10-12H2,1-3H3,(H2,24,25)(H,26,27,29)
InChIKeyMLIKRVZMNAYOEC-UHFFFAOYSA-N
XLogP4.34
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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
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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
CID 22283069
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
4-(diethylaminomethyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43070034
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
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-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(propylaminomethyl)benzamide;hydrochloride
CID 22283213

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide?
The IUPAC name of 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) is N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide.
What is the SMILES notation for N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide?
The canonical SMILES for N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide is COCCN(C)Cc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4csc(N)n4)c3s2)cc1.
What is the InChIKey of N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide?
The InChIKey is MLIKRVZMNAYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c1-28(10-11-30-2)12-14-4-6-15(7-5-14)21(29)27-23-26-19-18(31-3)9-8-16(20(19)33-23)17-13-32-22(24)25-17/h4-9,13H,10-12H2,1-3H3,(H2,24,25)(H,26,27,29).
What are the key properties of N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide?
N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide has a molecular weight of 483.62 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide is sourced from PubChem (CID 22283321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).