2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole

C11H16N4S — CID 71855811

IUPAC2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(CC)n(Cc2nc(C)cs2)n1
InChIInChI=1S/C11H16N4S/c1-4-9-13-10(5-2)15(14-9)6-11-12-8(3)7-16-11/h7H,4-6H2,1-3H3
InChIKeyLHTBXRVLWMLERP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.22
Rot. Bonds4

About 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole

2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 71855811) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID71855811
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCc1nc(CC)n(Cc2nc(C)cs2)n1
InChIInChI=1S/C11H16N4S/c1-4-9-13-10(5-2)15(14-9)6-11-12-8(3)7-16-11/h7H,4-6H2,1-3H3
InChIKeyLHTBXRVLWMLERP-UHFFFAOYSA-N
XLogP2.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-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 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole (CID 71855811) is 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole is CCc1nc(CC)n(Cc2nc(C)cs2)n1.
What is the InChIKey of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is LHTBXRVLWMLERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-9-13-10(5-2)15(14-9)6-11-12-8(3)7-16-11/h7H,4-6H2,1-3H3.
What are the key properties of 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole?
2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 236.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 71855811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).