2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole

C11H16N4S2 — CID 18708291

IUPAC2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnc(C(C)(C)C)n2C)n1
InChIInChI=1S/C11H16N4S2/c1-7-6-16-10(12-7)17-9-14-13-8(15(9)5)11(2,3)4/h6H,1-5H3
InChIKeySWPIIKPUEWTIEU-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.03
Rot. Bonds2

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

2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 18708291) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID18708291
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nnc(C(C)(C)C)n2C)n1
InChIInChI=1S/C11H16N4S2/c1-7-6-16-10(12-7)17-9-14-13-8(15(9)5)11(2,3)4/h6H,1-5H3
InChIKeySWPIIKPUEWTIEU-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-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-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 18708291) is 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2nnc(C(C)(C)C)n2C)n1.
What is the InChIKey of 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is SWPIIKPUEWTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7-6-16-10(12-7)17-9-14-13-8(15(9)5)11(2,3)4/h6H,1-5H3.
What are the key properties of 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 268.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 18708291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).