2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide

C12H20N4O2S — CID 47123380

IUPAC2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC(=O)Nc1nccs1)CC(=O)NC(C)C
InChIInChI=1S/C12H20N4O2S/c1-4-16(7-10(17)14-9(2)3)8-11(18)15-12-13-5-6-19-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)(H,13,15,18)
InChIKeyYVJBSRQCYQUDEY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.93
Rot. Bonds7

About 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 47123380) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID47123380
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN(CC(=O)Nc1nccs1)CC(=O)NC(C)C
InChIInChI=1S/C12H20N4O2S/c1-4-16(7-10(17)14-9(2)3)8-11(18)15-12-13-5-6-19-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)(H,13,15,18)
InChIKeyYVJBSRQCYQUDEY-UHFFFAOYSA-N
XLogP0.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide 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

2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47123357
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
N'-(4-methylphenyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205463
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258533
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide (CID 47123380) is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide is CCN(CC(=O)Nc1nccs1)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YVJBSRQCYQUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-16(7-10(17)14-9(2)3)8-11(18)15-12-13-5-6-19-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)(H,13,15,18).
What are the key properties of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47123380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).