N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide

C20H34N4O3S — CID 3904370

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C20H34N4O3S/c1-5-17(6-2)19(26)24(9-7-8-23-10-12-27-13-11-23)14-18(25)22-20-21-15(3)16(4)28-20/h17H,5-14H2,1-4H3,(H,21,22,25)
InChIKeyQXXNENVXDXRIGU-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.69
Rot. Bonds10

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 3904370) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID3904370
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C20H34N4O3S/c1-5-17(6-2)19(26)24(9-7-8-23-10-12-27-13-11-23)14-18(25)22-20-21-15(3)16(4)28-20/h17H,5-14H2,1-4H3,(H,21,22,25)
InChIKeyQXXNENVXDXRIGU-UHFFFAOYSA-N
XLogP2.69
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 7258953
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)butanamide
CID 7482410
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium
CID 7430661
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3310913
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 3383835
N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 7201799

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide (CID 3904370) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide is CCC(CC)C(=O)N(CCCN1CCOCC1)CC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is QXXNENVXDXRIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-5-17(6-2)19(26)24(9-7-8-23-10-12-27-13-11-23)14-18(25)22-20-21-15(3)16(4)28-20/h17H,5-14H2,1-4H3,(H,21,22,25).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 410.58 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 3904370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).