2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C11H19N3O2S — CID 106381361

IUPAC2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-3-11(4-2,7-12)9(15)13-5-8-6-17-10(16)14-8/h6H,3-5,7,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVLLWQFQMMWVSQT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.82
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381361) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381361
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-3-11(4-2,7-12)9(15)13-5-8-6-17-10(16)14-8/h6H,3-5,7,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVLLWQFQMMWVSQT-UHFFFAOYSA-N
XLogP0.82
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]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

3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 128712971
4,4-dimethyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]pentanamide
CID 117649970
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
2,2-Dimethyl-3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanamide
CID 86996718
2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775034
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 103775079
2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 103950579
2-amino-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 103950580
(2S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 103950581
(2S,3S)-2-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 103950585
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 103950587
N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanamide
CID 106380694

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381361) is 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CCC(CC)(CN)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is VLLWQFQMMWVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-11(4-2,7-12)9(15)13-5-8-6-17-10(16)14-8/h6H,3-5,7,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 257.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).