N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide

C19H20N4O2S — CID 4783607

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc(N4CCOCC4)ccn3)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-2-13-3-4-15-17(11-13)26-19(21-15)22-18(24)16-12-14(5-6-20-16)23-7-9-25-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,21,22,24)
InChIKeyCVILIJVBHCDMDV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.34
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 4783607) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID4783607
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3cc(N4CCOCC4)ccn3)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-2-13-3-4-15-17(11-13)26-19(21-15)22-18(24)16-12-14(5-6-20-16)23-7-9-25-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,21,22,24)
InChIKeyCVILIJVBHCDMDV-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-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-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide (CID 4783607) is N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide is CCc1ccc2nc(NC(=O)c3cc(N4CCOCC4)ccn3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is CVILIJVBHCDMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-13-3-4-15-17(11-13)26-19(21-15)22-18(24)16-12-14(5-6-20-16)23-7-9-25-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,21,22,24).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 4783607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).