1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol

C13H16N2OS — CID 105084249

IUPAC1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cnns2)c(C)c1
InChIInChI=1S/C13H16N2OS/c1-8-4-9(2)11(10(3)5-8)6-12(16)13-7-14-15-17-13/h4-5,7,12,16H,6H2,1-3H3
InChIKeySFGNSZUPZQGXGU-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 105084249) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID105084249
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cnns2)c(C)c1
InChIInChI=1S/C13H16N2OS/c1-8-4-9(2)11(10(3)5-8)6-12(16)13-7-14-15-17-13/h4-5,7,12,16H,6H2,1-3H3
InChIKeySFGNSZUPZQGXGU-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090603
1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63896096
2-(2-chloro-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanol
CID 105086943
1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 112755578
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 105084249) is 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2cnns2)c(C)c1.
What is the InChIKey of 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is SFGNSZUPZQGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-4-9(2)11(10(3)5-8)6-12(16)13-7-14-15-17-13/h4-5,7,12,16H,6H2,1-3H3.
What are the key properties of 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 105084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).