N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C14H11N3O2S — CID 17413870

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccncc3)nc12
InChIInChI=1S/C14H11N3O2S/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9/h2-8H,1H3,(H,16,17,18)
InChIKeyRYPOAJUPGYRIIT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 17413870) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID17413870
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccncc3)nc12
InChIInChI=1S/C14H11N3O2S/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9/h2-8H,1H3,(H,16,17,18)
InChIKeyRYPOAJUPGYRIIT-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-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-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 17413870) is N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is COc1cccc2sc(NC(=O)c3ccncc3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is RYPOAJUPGYRIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 17413870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).