N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C12H16N4OS — CID 70738791

IUPACN-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC(C)n2ccnc2)cs1
InChIInChI=1S/C12H16N4OS/c1-9(16-4-3-13-8-16)6-14-12(17)5-11-7-18-10(2)15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17)
InChIKeyBIYFEDVPJHSUQA-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.57
Rot. Bonds5

About N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 70738791) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID70738791
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCC(C)n2ccnc2)cs1
InChIInChI=1S/C12H16N4OS/c1-9(16-4-3-13-8-16)6-14-12(17)5-11-7-18-10(2)15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17)
InChIKeyBIYFEDVPJHSUQA-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-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-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 70738791) is N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCC(C)n2ccnc2)cs1.
What is the InChIKey of N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BIYFEDVPJHSUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9(16-4-3-13-8-16)6-14-12(17)5-11-7-18-10(2)15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 70738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).