N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide

C16H14N2O3S — CID 2445266

IUPACN-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-7-8-13(21-2)12(9-10)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,19)
InChIKeyHCYYWVBTDUAGMX-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide

N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 2445266) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID2445266
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nc3ccccc3s2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-7-8-13(21-2)12(9-10)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,19)
InChIKeyHCYYWVBTDUAGMX-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide 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 N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide (CID 2445266) is N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide is COc1ccc(OC)c(NC(=O)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is HCYYWVBTDUAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-10-7-8-13(21-2)12(9-10)17-15(19)16-18-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide?
N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2445266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).