3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol

C8H13NO2S — CID 115089682

IUPAC3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(CCO)s1
InChIInChI=1S/C8H13NO2S/c10-4-1-2-8-9-6-7(12-8)3-5-11/h6,10-11H,1-5H2
InChIKeyGIACJKBLZFKSQJ-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.60
Rot. Bonds5

About 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol

3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 115089682) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID115089682
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1ncc(CCO)s1
InChIInChI=1S/C8H13NO2S/c10-4-1-2-8-9-6-7(12-8)3-5-11/h6,10-11H,1-5H2
InChIKeyGIACJKBLZFKSQJ-UHFFFAOYSA-N
XLogP0.60
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol (CID 115089682) is 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol is OCCCc1ncc(CCO)s1.
What is the InChIKey of 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is GIACJKBLZFKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c10-4-1-2-8-9-6-7(12-8)3-5-11/h6,10-11H,1-5H2.
What are the key properties of 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol?
3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 187.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 115089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).