2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide

C19H19FN4O2S — CID 146622322

IUPAC2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-11-3-8-15-16(10-11)27-19(24-15)23-12-4-6-13(7-5-12)26-18-14(17(21)25)2-1-9-22-18/h1-3,8-10,12-13H,4-7H2,(H2,21,25)(H,23,24)
InChIKeyHHXIVBJBPQDAGU-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 146622322) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID146622322
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H19FN4O2S/c20-11-3-8-15-16(10-11)27-19(24-15)23-12-4-6-13(7-5-12)26-18-14(17(21)25)2-1-9-22-18/h1-3,8-10,12-13H,4-7H2,(H2,21,25)(H,23,24)
InChIKeyHHXIVBJBPQDAGU-UHFFFAOYSA-N
XLogP3.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-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 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide (CID 146622322) is 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CCC(Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is HHXIVBJBPQDAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-11-3-8-15-16(10-11)27-19(24-15)23-12-4-6-13(7-5-12)26-18-14(17(21)25)2-1-9-22-18/h1-3,8-10,12-13H,4-7H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146622322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).