2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

C11H15N3OS — CID 105123343

IUPAC2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1cncs1
InChIInChI=1S/C11H15N3OS/c1-7-11(8(2)14(3)13-7)10(15)4-9-5-12-6-16-9/h5-6,10,15H,4H2,1-3H3
InChIKeyZIPITGUZQWISFY-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.77
Rot. Bonds3

About 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105123343) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105123343
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1C(O)Cc1cncs1
InChIInChI=1S/C11H15N3OS/c1-7-11(8(2)14(3)13-7)10(15)4-9-5-12-6-16-9/h5-6,10,15H,4H2,1-3H3
InChIKeyZIPITGUZQWISFY-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105123343) is 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1C(O)Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is ZIPITGUZQWISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-11(8(2)14(3)13-7)10(15)4-9-5-12-6-16-9/h5-6,10,15H,4H2,1-3H3.
What are the key properties of 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105123343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).