2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol

C11H16N4OS — CID 114686403

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1nc(C)cs1
InChIInChI=1S/C11H16N4OS/c1-3-4-15-9(6-12-14-15)10(16)5-11-13-8(2)7-17-11/h6-7,10,16H,3-5H2,1-2H3
InChIKeyOKMPMYZAFMCEBF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.73
Rot. Bonds5

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

2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686403) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686403
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1nc(C)cs1
InChIInChI=1S/C11H16N4OS/c1-3-4-15-9(6-12-14-15)10(16)5-11-13-8(2)7-17-11/h6-7,10,16H,3-5H2,1-2H3
InChIKeyOKMPMYZAFMCEBF-UHFFFAOYSA-N
XLogP1.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351
(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 115834141
2-(3-bromophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686324
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol (CID 114686403) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)Cc1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is OKMPMYZAFMCEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-4-15-9(6-12-14-15)10(16)5-11-13-8(2)7-17-11/h6-7,10,16H,3-5H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 252.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).