N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide

C23H20N4O2S — CID 9456512

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C23H20N4O2S/c28-22(20-15-18(8-9-24-20)27-10-12-29-13-11-27)25-17-5-3-4-16(14-17)23-26-19-6-1-2-7-21(19)30-23/h1-9,14-15H,10-13H2,(H,25,28)
InChIKeyDOEYFAXOTNSOOK-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.45
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 9456512) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID9456512
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C23H20N4O2S/c28-22(20-15-18(8-9-24-20)27-10-12-29-13-11-27)25-17-5-3-4-16(14-17)23-26-19-6-1-2-7-21(19)30-23/h1-9,14-15H,10-13H2,(H,25,28)
InChIKeyDOEYFAXOTNSOOK-UHFFFAOYSA-N
XLogP4.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206676
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 34290939
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155943148
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 143803475
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-6-iodobenzamide
CID 70815255
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9327000
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 7096358
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
4-(azepan-1-ylsulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5008940

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 9456512) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is DOEYFAXOTNSOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(20-15-18(8-9-24-20)27-10-12-29-13-11-27)25-17-5-3-4-16(14-17)23-26-19-6-1-2-7-21(19)30-23/h1-9,14-15H,10-13H2,(H,25,28).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 9456512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).