2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate

C6H13NO2S — CID 174622114

IUPAC2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
SMILESCC1=CSCN1CCO.O
InChIInChI=1S/C6H11NOS.H2O/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H2
InChIKeyFOMOLIKFJJBULC-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.02
Rot. Bonds2

About 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate

2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate (PubChem CID 174622114) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate.

Molecular Properties

Compound Name2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
PubChem CID174622114
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
SMILESCC1=CSCN1CCO.O
InChIInChI=1S/C6H11NOS.H2O/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H2
InChIKeyFOMOLIKFJJBULC-UHFFFAOYSA-N
XLogP0.02
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate?
The IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate (CID 174622114) is 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate.
What is the SMILES notation for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate?
The canonical SMILES for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate is CC1=CSCN1CCO.O.
What is the InChIKey of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate?
The InChIKey is FOMOLIKFJJBULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS.H2O/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H2.
What are the key properties of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate?
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate has a molecular weight of 163.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate is sourced from PubChem (CID 174622114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).