2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol

C7H11NO2S — CID 112645387

IUPAC2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
SMILESOCC(CO)Cc1cncs1
InChIInChI=1S/C7H11NO2S/c9-3-6(4-10)1-7-2-8-5-11-7/h2,5-6,9-10H,1,3-4H2
InChIKeyFCNNZWMUJLXSLY-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.29
Rot. Bonds4

About 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol

2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol (PubChem CID 112645387) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
PubChem CID112645387
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
SMILESOCC(CO)Cc1cncs1
InChIInChI=1S/C7H11NO2S/c9-3-6(4-10)1-7-2-8-5-11-7/h2,5-6,9-10H,1,3-4H2
InChIKeyFCNNZWMUJLXSLY-UHFFFAOYSA-N
XLogP0.29
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol (CID 112645387) is 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol is OCC(CO)Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
The InChIKey is FCNNZWMUJLXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-3-6(4-10)1-7-2-8-5-11-7/h2,5-6,9-10H,1,3-4H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol?
2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol has a molecular weight of 173.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 112645387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).