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

C16H16N4OS — CID 94962651

IUPAC[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1ccc(/C=C/c2c(CO)nnn2-c2nc(C)cs2)cc1
InChIInChI=1S/C16H16N4OS/c1-11-3-5-13(6-4-11)7-8-15-14(9-21)18-19-20(15)16-17-12(2)10-22-16/h3-8,10,21H,9H2,1-2H3/b8-7+
InChIKeyFWNQYEBHAHRVNI-BQYQJAHWSA-N
MW312.40 g/mol
LogP3.00
Rot. Bonds4

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

[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 94962651) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID94962651
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1ccc(/C=C/c2c(CO)nnn2-c2nc(C)cs2)cc1
InChIInChI=1S/C16H16N4OS/c1-11-3-5-13(6-4-11)7-8-15-14(9-21)18-19-20(15)16-17-12(2)10-22-16/h3-8,10,21H,9H2,1-2H3/b8-7+
InChIKeyFWNQYEBHAHRVNI-BQYQJAHWSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol with MolForge

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Related Compounds

[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221036
1-(4-methyl-1,3-thiazol-2-yl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
CID 82221125
[5-(4-methylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221146
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
CID 82207834
4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
CID 94935692
[5-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221151
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157
[5-[(E)-2-(4-chlorophenyl)ethenyl]-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962604
5-(3,4-dimethylphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82221086
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 94962651) is [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is Cc1ccc(/C=C/c2c(CO)nnn2-c2nc(C)cs2)cc1.
What is the InChIKey of [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is FWNQYEBHAHRVNI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-3-5-13(6-4-11)7-8-15-14(9-21)18-19-20(15)16-17-12(2)10-22-16/h3-8,10,21H,9H2,1-2H3/b8-7+.
What are the key properties of [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
[5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 312.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 94962651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).