N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide

C13H23N3OS — CID 43203053

IUPACN-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide
SMILESCc1nc(C(C)NCCNC(=O)C(C)C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)13(17)15-7-6-14-9(3)12-10(4)18-11(5)16-12/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyBJQQETPBSZYPEH-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide

N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide (PubChem CID 43203053) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide
PubChem CID43203053
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide
SMILESCc1nc(C(C)NCCNC(=O)C(C)C)c(C)s1
InChIInChI=1S/C13H23N3OS/c1-8(2)13(17)15-7-6-14-9(3)12-10(4)18-11(5)16-12/h8-9,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyBJQQETPBSZYPEH-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide (CID 43203053) is N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide is Cc1nc(C(C)NCCNC(=O)C(C)C)c(C)s1.
What is the InChIKey of N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide?
The InChIKey is BJQQETPBSZYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)13(17)15-7-6-14-9(3)12-10(4)18-11(5)16-12/h8-9,14H,6-7H2,1-5H3,(H,15,17).
What are the key properties of N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide?
N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide has a molecular weight of 269.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43203053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).