N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C24H33N5O4S — CID 3437555

IUPACN-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NCCCN2CCOCC2)cs1)C(=O)c1ccccc1
InChIInChI=1S/C24H33N5O4S/c1-18(2)29(23(32)19-7-4-3-5-8-19)16-22(31)27-24-26-20(17-34-24)15-21(30)25-9-6-10-28-11-13-33-14-12-28/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyNPLIIFRAWYFNIL-UHFFFAOYSA-N
MW487.63 g/mol
LogP2.01
Rot. Bonds11

About N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 3437555) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID3437555
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NCCCN2CCOCC2)cs1)C(=O)c1ccccc1
InChIInChI=1S/C24H33N5O4S/c1-18(2)29(23(32)19-7-4-3-5-8-19)16-22(31)27-24-26-20(17-34-24)15-21(30)25-9-6-10-28-11-13-33-14-12-28/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyNPLIIFRAWYFNIL-UHFFFAOYSA-N
XLogP2.01
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029904
3,4-dichloro-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1030128
N-(2-methoxyethyl)-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 3273597
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4534900
4-fluoro-N-[2-[[4-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4073704
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 5240773
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110450729
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
4-fluoro-N-[2-[[4-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42779016
4-chloro-N-[2-oxo-2-[[4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 4140064

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 3437555) is N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)Nc1nc(CC(=O)NCCCN2CCOCC2)cs1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is NPLIIFRAWYFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-18(2)29(23(32)19-7-4-3-5-8-19)16-22(31)27-24-26-20(17-34-24)15-21(30)25-9-6-10-28-11-13-33-14-12-28/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H,25,30)(H,26,27,31).
What are the key properties of N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 487.63 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 3437555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).