4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

C9H11N3S — CID 10821611

IUPAC4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCc1csc(Cc2cnc[nH]2)n1
InChIInChI=1S/C9H11N3S/c1-2-7-5-13-9(12-7)3-8-4-10-6-11-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWUIUEIFWPLVNJH-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.02
Rot. Bonds3

About 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 10821611) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID10821611
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCc1csc(Cc2cnc[nH]2)n1
InChIInChI=1S/C9H11N3S/c1-2-7-5-13-9(12-7)3-8-4-10-6-11-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWUIUEIFWPLVNJH-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole 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 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 10821611) is 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is CCc1csc(Cc2cnc[nH]2)n1.
What is the InChIKey of 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is WUIUEIFWPLVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-7-5-13-9(12-7)3-8-4-10-6-11-8/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 10821611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).