N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide

C13H19N5OS — CID 91793352

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)NCCCc1csc(N)n1
InChIInChI=1S/C13H19N5OS/c1-2-11-15-6-7-18(11)8-12(19)16-5-3-4-10-9-20-13(14)17-10/h6-7,9H,2-5,8H2,1H3,(H2,14,17)(H,16,19)
InChIKeyQCUYQTFGDQYIGP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.23
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide (PubChem CID 91793352) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide
PubChem CID91793352
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)NCCCc1csc(N)n1
InChIInChI=1S/C13H19N5OS/c1-2-11-15-6-7-18(11)8-12(19)16-5-3-4-10-9-20-13(14)17-10/h6-7,9H,2-5,8H2,1H3,(H2,14,17)(H,16,19)
InChIKeyQCUYQTFGDQYIGP-UHFFFAOYSA-N
XLogP1.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide 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-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide (CID 91793352) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide is CCc1nccn1CC(=O)NCCCc1csc(N)n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide?
The InChIKey is QCUYQTFGDQYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-11-15-6-7-18(11)8-12(19)16-5-3-4-10-9-20-13(14)17-10/h6-7,9H,2-5,8H2,1H3,(H2,14,17)(H,16,19).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(2-ethylimidazol-1-yl)acetamide is sourced from PubChem (CID 91793352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).