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

C17H15FN4O2S — CID 18143056

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H15FN4O2S/c18-12-2-3-13-14(9-12)25-17(20-13)21-16(23)11-1-4-15(19-10-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,20,21,23)
InChIKeyAUAXMDSJQHEICK-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.92
Rot. Bonds3

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

N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 18143056) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID18143056
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H15FN4O2S/c18-12-2-3-13-14(9-12)25-17(20-13)21-16(23)11-1-4-15(19-10-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,20,21,23)
InChIKeyAUAXMDSJQHEICK-UHFFFAOYSA-N
XLogP2.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 18143056) is N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is AUAXMDSJQHEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-12-2-3-13-14(9-12)25-17(20-13)21-16(23)11-1-4-15(19-10-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,20,21,23).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 18143056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).