N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H25N5O3S — CID 55786099

IUPACN-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cn2)CC(C)O1
InChIInChI=1S/C23H25N5O3S/c1-15-12-28(13-16(2)31-15)20-9-8-18(11-24-20)25-21(29)10-19-14-32-23(26-19)27-22(30)17-6-4-3-5-7-17/h3-9,11,14-16H,10,12-13H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyHJQCTXFMVATJOX-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.59
Rot. Bonds6

About N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55786099) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55786099
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cn2)CC(C)O1
InChIInChI=1S/C23H25N5O3S/c1-15-12-28(13-16(2)31-15)20-9-8-18(11-24-20)25-21(29)10-19-14-32-23(26-19)27-22(30)17-6-4-3-5-7-17/h3-9,11,14-16H,10,12-13H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyHJQCTXFMVATJOX-UHFFFAOYSA-N
XLogP3.59
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55786036
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-(4-sulfamoylphenyl)acetamide
CID 56510821
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55835660
N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 86843430
N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 56547481
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55786099) is N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CC1CN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cn2)CC(C)O1.
What is the InChIKey of N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HJQCTXFMVATJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15-12-28(13-16(2)31-15)20-9-8-18(11-24-20)25-21(29)10-19-14-32-23(26-19)27-22(30)17-6-4-3-5-7-17/h3-9,11,14-16H,10,12-13H2,1-2H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55786099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).