N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide

C27H23N3OS — CID 41056354

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc12
InChIInChI=1S/C27H23N3OS/c1-18-13-14-19(2)26-25(18)29-27(32-26)30(17-22-11-5-6-15-28-22)24(31)16-21-10-7-9-20-8-3-4-12-23(20)21/h3-15H,16-17H2,1-2H3
InChIKeyGMDNBRWQCUHCCD-UHFFFAOYSA-N
MW437.57 g/mol
LogP6.24
Rot. Bonds5

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41056354) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID41056354
Molecular FormulaC27H23N3OS
Molecular Weight437.57 g/mol
Exact Mass437.16
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc12
InChIInChI=1S/C27H23N3OS/c1-18-13-14-19(2)26-25(18)29-27(32-26)30(17-22-11-5-6-15-28-22)24(31)16-21-10-7-9-20-8-3-4-12-23(20)21/h3-15H,16-17H2,1-2H3
InChIKeyGMDNBRWQCUHCCD-UHFFFAOYSA-N
XLogP6.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-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-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 41056541
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 41117444
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 41056330
2-bromo-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056313
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40519391
3-(4-chlorophenyl)sulfanyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 41004720
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 41180076
5-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 40699773
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 41004715
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 40519389
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056351
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 41055786

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide (CID 41056354) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc12.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GMDNBRWQCUHCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS/c1-18-13-14-19(2)26-25(18)29-27(32-26)30(17-22-11-5-6-15-28-22)24(31)16-21-10-7-9-20-8-3-4-12-23(20)21/h3-15H,16-17H2,1-2H3.
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 437.57 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41056354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).