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

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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).