2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole

C16H18N4OS — CID 86804264

IUPAC2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole
SMILESCCCn1c(C)nnc1COc1ccccc1-c1nccs1
InChIInChI=1S/C16H18N4OS/c1-3-9-20-12(2)18-19-15(20)11-21-14-7-5-4-6-13(14)16-17-8-10-22-16/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGAHTUEIBIVEDSU-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.70
Rot. Bonds6

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

2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole (PubChem CID 86804264) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole
PubChem CID86804264
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole
SMILESCCCn1c(C)nnc1COc1ccccc1-c1nccs1
InChIInChI=1S/C16H18N4OS/c1-3-9-20-12(2)18-19-15(20)11-21-14-7-5-4-6-13(14)16-17-8-10-22-16/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGAHTUEIBIVEDSU-UHFFFAOYSA-N
XLogP3.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole (CID 86804264) is 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole is CCCn1c(C)nnc1COc1ccccc1-c1nccs1.
What is the InChIKey of 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole?
The InChIKey is GAHTUEIBIVEDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-3-9-20-12(2)18-19-15(20)11-21-14-7-5-4-6-13(14)16-17-8-10-22-16/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole?
2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole has a molecular weight of 314.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 86804264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).