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

C6H11NOS — CID 89129970

IUPAC2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol
SMILESCC1NC(CCO)=CS1
InChIInChI=1S/C6H11NOS/c1-5-7-6(2-3-8)4-9-5/h4-5,7-8H,2-3H2,1H3
InChIKeyVYALBVDKBWYQTB-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.89
Rot. Bonds2

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

2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol (PubChem CID 89129970) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol
PubChem CID89129970
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol
SMILESCC1NC(CCO)=CS1
InChIInChI=1S/C6H11NOS/c1-5-7-6(2-3-8)4-9-5/h4-5,7-8H,2-3H2,1H3
InChIKeyVYALBVDKBWYQTB-UHFFFAOYSA-N
XLogP0.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol (CID 89129970) is 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol is CC1NC(CCO)=CS1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol?
The InChIKey is VYALBVDKBWYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-5-7-6(2-3-8)4-9-5/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol?
2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol has a molecular weight of 145.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 89129970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).