4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide

C21H24N2O3S2 — CID 24818052

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-25-13-11-23(12-14-26-2)20(24)17-9-7-16(8-10-17)15-27-21-22-18-5-3-4-6-19(18)28-21/h3-10H,11-15H2,1-2H3
InChIKeyNLZGCPFXPDFURE-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.32
Rot. Bonds10

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 24818052) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide
PubChem CID24818052
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-25-13-11-23(12-14-26-2)20(24)17-9-7-16(8-10-17)15-27-21-22-18-5-3-4-6-19(18)28-21/h3-10H,11-15H2,1-2H3
InChIKeyNLZGCPFXPDFURE-UHFFFAOYSA-N
XLogP4.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide (CID 24818052) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is NLZGCPFXPDFURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-25-13-11-23(12-14-26-2)20(24)17-9-7-16(8-10-17)15-27-21-22-18-5-3-4-6-19(18)28-21/h3-10H,11-15H2,1-2H3.
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 416.57 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 24818052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).