2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol

C7H9N5OS — CID 105107145

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCn1ncnc1CC(O)c1cnns1
InChIInChI=1S/C7H9N5OS/c1-12-7(8-4-10-12)2-5(13)6-3-9-11-14-6/h3-5,13H,2H2,1H3
InChIKeyPCPPSOHOOWEQAL-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.06
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol

2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105107145) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105107145
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCn1ncnc1CC(O)c1cnns1
InChIInChI=1S/C7H9N5OS/c1-12-7(8-4-10-12)2-5(13)6-3-9-11-14-6/h3-5,13H,2H2,1H3
InChIKeyPCPPSOHOOWEQAL-UHFFFAOYSA-N
XLogP-0.06
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105107127
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
CID 105107071
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105160515
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol (CID 105107145) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol is Cn1ncnc1CC(O)c1cnns1.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is PCPPSOHOOWEQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-12-7(8-4-10-12)2-5(13)6-3-9-11-14-6/h3-5,13H,2H2,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 211.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105107145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).