N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C20H24N4O3S — CID 155524556

IUPACN-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)NCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H24N4O3S/c1-2-19(26)24(14-18(25)21-8-9-23-10-12-27-13-11-23)20-22-17(15-28-20)16-6-4-3-5-7-16/h2-7,15H,1,8-14H2,(H,21,25)
InChIKeyYVTSIDYTFLVMGU-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.78
Rot. Bonds8

About N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 155524556) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID155524556
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESC=CC(=O)N(CC(=O)NCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H24N4O3S/c1-2-19(26)24(14-18(25)21-8-9-23-10-12-27-13-11-23)20-22-17(15-28-20)16-6-4-3-5-7-16/h2-7,15H,1,8-14H2,(H,21,25)
InChIKeyYVTSIDYTFLVMGU-UHFFFAOYSA-N
XLogP1.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide 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 N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 155524556) is N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is C=CC(=O)N(CC(=O)NCCN1CCOCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is YVTSIDYTFLVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-2-19(26)24(14-18(25)21-8-9-23-10-12-27-13-11-23)20-22-17(15-28-20)16-6-4-3-5-7-16/h2-7,15H,1,8-14H2,(H,21,25).
What are the key properties of N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 400.50 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 155524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).