2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol

C8H10N4OS — CID 105121099

IUPAC2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCn1ccc(CC(O)c2cnns2)n1
InChIInChI=1S/C8H10N4OS/c1-12-3-2-6(10-12)4-7(13)8-5-9-11-14-8/h2-3,5,7,13H,4H2,1H3
InChIKeyVVJWNYXSDQZRDD-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.55
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol

2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105121099) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105121099
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESCn1ccc(CC(O)c2cnns2)n1
InChIInChI=1S/C8H10N4OS/c1-12-3-2-6(10-12)4-7(13)8-5-9-11-14-8/h2-3,5,7,13H,4H2,1H3
InChIKeyVVJWNYXSDQZRDD-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol (CID 105121099) is 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol is Cn1ccc(CC(O)c2cnns2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is VVJWNYXSDQZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-12-3-2-6(10-12)4-7(13)8-5-9-11-14-8/h2-3,5,7,13H,4H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol?
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 210.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105121099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).