[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol

C15H16N4OS — CID 167877334

IUPAC[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccccc1-n1nc(CO)nc1CCc1cncs1
InChIInChI=1S/C15H16N4OS/c1-11-4-2-3-5-13(11)19-15(17-14(9-20)18-19)7-6-12-8-16-10-21-12/h2-5,8,10,20H,6-7,9H2,1H3
InChIKeyCPYDKQPBXLZIAE-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.31
Rot. Bonds5

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

[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 167877334) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol
PubChem CID167877334
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccccc1-n1nc(CO)nc1CCc1cncs1
InChIInChI=1S/C15H16N4OS/c1-11-4-2-3-5-13(11)19-15(17-14(9-20)18-19)7-6-12-8-16-10-21-12/h2-5,8,10,20H,6-7,9H2,1H3
InChIKeyCPYDKQPBXLZIAE-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol (CID 167877334) is [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol is Cc1ccccc1-n1nc(CO)nc1CCc1cncs1.
What is the InChIKey of [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is CPYDKQPBXLZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-11-4-2-3-5-13(11)19-15(17-14(9-20)18-19)7-6-12-8-16-10-21-12/h2-5,8,10,20H,6-7,9H2,1H3.
What are the key properties of [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol?
[1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 300.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-5-[2-(1,3-thiazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 167877334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).