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

C15H16N4S — CID 72881734

IUPAC4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole
SMILESCc1ccccc1-n1ncnc1CCc1scnc1C
InChIInChI=1S/C15H16N4S/c1-11-5-3-4-6-13(11)19-15(16-9-18-19)8-7-14-12(2)17-10-20-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHJLJDCHGXSECAA-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.13
Rot. Bonds4

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

4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole (PubChem CID 72881734) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole
PubChem CID72881734
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole
SMILESCc1ccccc1-n1ncnc1CCc1scnc1C
InChIInChI=1S/C15H16N4S/c1-11-5-3-4-6-13(11)19-15(16-9-18-19)8-7-14-12(2)17-10-20-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHJLJDCHGXSECAA-UHFFFAOYSA-N
XLogP3.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole (CID 72881734) is 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole is Cc1ccccc1-n1ncnc1CCc1scnc1C.
What is the InChIKey of 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole?
The InChIKey is HJLJDCHGXSECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-5-3-4-6-13(11)19-15(16-9-18-19)8-7-14-12(2)17-10-20-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole?
4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole has a molecular weight of 284.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 72881734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).