2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol

C8H10N4OS — CID 107046422

IUPAC2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cscn2)nn1
InChIInChI=1S/C8H10N4OS/c1-12-3-6(10-11-12)2-8(13)7-4-14-5-9-7/h3-5,8,13H,2H2,1H3
InChIKeyKUABXIZIYYXASH-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.55
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol

2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 107046422) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
PubChem CID107046422
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cscn2)nn1
InChIInChI=1S/C8H10N4OS/c1-12-3-6(10-11-12)2-8(13)7-4-14-5-9-7/h3-5,8,13H,2H2,1H3
InChIKeyKUABXIZIYYXASH-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

1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046440
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-(1-methyltriazol-4-yl)-1-(2-phenyltriazol-4-yl)ethanol
CID 107065645
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045928
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol (CID 107046422) is 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol is Cn1cc(CC(O)c2cscn2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is KUABXIZIYYXASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-12-3-6(10-11-12)2-8(13)7-4-14-5-9-7/h3-5,8,13H,2H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol?
2-(1-methyltriazol-4-yl)-1-(1,3-thiazol-4-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-methyltriazol-4-yl)-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 107046422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).