4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol

C8H11NO2S — CID 170476052

IUPAC4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol
SMILESOCCC=Cc1ncc(CO)s1
InChIInChI=1S/C8H11NO2S/c10-4-2-1-3-8-9-5-7(6-11)12-8/h1,3,5,10-11H,2,4,6H2
InChIKeyRNPMIAVZJSMIRZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.03
Rot. Bonds4

About 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol

4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol (PubChem CID 170476052) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol
PubChem CID170476052
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol
SMILESOCCC=Cc1ncc(CO)s1
InChIInChI=1S/C8H11NO2S/c10-4-2-1-3-8-9-5-7(6-11)12-8/h1,3,5,10-11H,2,4,6H2
InChIKeyRNPMIAVZJSMIRZ-UHFFFAOYSA-N
XLogP1.03
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol?
The IUPAC name of 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol (CID 170476052) is 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol?
The canonical SMILES for 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol is OCCC=Cc1ncc(CO)s1.
What is the InChIKey of 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol?
The InChIKey is RNPMIAVZJSMIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-4-2-1-3-8-9-5-7(6-11)12-8/h1,3,5,10-11H,2,4,6H2.
What are the key properties of 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol?
4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol has a molecular weight of 185.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]but-3-en-1-ol is sourced from PubChem (CID 170476052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).