N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C23H20ClN3O2S — CID 43986709

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1ccccn1)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C23H20ClN3O2S/c1-15-7-3-4-9-19(15)29-14-21(28)27(13-17-8-5-6-12-25-17)23-26-22-16(2)18(24)10-11-20(22)30-23/h3-12H,13-14H2,1-2H3
InChIKeyUGMDLYYROHKQTM-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.57
Rot. Bonds6

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986709) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43986709
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1ccccn1)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C23H20ClN3O2S/c1-15-7-3-4-9-19(15)29-14-21(28)27(13-17-8-5-6-12-25-17)23-26-22-16(2)18(24)10-11-20(22)30-23/h3-12H,13-14H2,1-2H3
InChIKeyUGMDLYYROHKQTM-UHFFFAOYSA-N
XLogP5.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide 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-(4-chloro-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986700
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343125
2-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41055322
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 41117486
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986691
2-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117465
4-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117463
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 41325600
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986787
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986752
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
CID 43987536
4-butoxy-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41117475

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 43986709) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccccc1OCC(=O)N(Cc1ccccn1)c1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UGMDLYYROHKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-15-7-3-4-9-19(15)29-14-21(28)27(13-17-8-5-6-12-25-17)23-26-22-16(2)18(24)10-11-20(22)30-23/h3-12H,13-14H2,1-2H3.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).