3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide

C11H19N3OS — CID 60777585

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ncc(CNCCC(=O)NC(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-8(2)14-11(15)4-5-12-6-10-7-13-9(3)16-10/h7-8,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyLJTKWHGAGZVQJK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.46
Rot. Bonds6

About 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide

3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 60777585) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID60777585
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ncc(CNCCC(=O)NC(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-8(2)14-11(15)4-5-12-6-10-7-13-9(3)16-10/h7-8,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyLJTKWHGAGZVQJK-UHFFFAOYSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide 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

1-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110747788
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 112728360
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113373335
3-[(5-cyanothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 115675546
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912278
N-propan-2-yl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438048

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide (CID 60777585) is 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide is Cc1ncc(CNCCC(=O)NC(C)C)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is LJTKWHGAGZVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)14-11(15)4-5-12-6-10-7-13-9(3)16-10/h7-8,12H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60777585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).