2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C11H19N3OS — CID 115431582

IUPAC2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)9(15)14-10-13-6-8(3)16-10/h6H,4-5,7,12H2,1-3H3,(H,13,14,15)
InChIKeyMAMCNACYSFODAJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.16
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 115431582) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID115431582
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)9(15)14-10-13-6-8(3)16-10/h6H,4-5,7,12H2,1-3H3,(H,13,14,15)
InChIKeyMAMCNACYSFODAJ-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)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

2-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide
CID 115432443
2-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 104936646
2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 5147697
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
CID 18155112
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 115431582) is 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CCC(CC)(CN)C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MAMCNACYSFODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-11(5-2,7-12)9(15)14-10-13-6-8(3)16-10/h6H,4-5,7,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 241.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 115431582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).