2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol

C9H15NO3S — CID 67745314

IUPAC2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol
SMILESOCC(CO)(CO)CCc1nccs1
InChIInChI=1S/C9H15NO3S/c11-5-9(6-12,7-13)2-1-8-10-3-4-14-8/h3-4,11-13H,1-2,5-7H2
InChIKeyLAHYIXNFERUPTR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.04
Rot. Bonds6

About 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol

2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol (PubChem CID 67745314) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol
PubChem CID67745314
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol
SMILESOCC(CO)(CO)CCc1nccs1
InChIInChI=1S/C9H15NO3S/c11-5-9(6-12,7-13)2-1-8-10-3-4-14-8/h3-4,11-13H,1-2,5-7H2
InChIKeyLAHYIXNFERUPTR-UHFFFAOYSA-N
XLogP0.04
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol (CID 67745314) is 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol is OCC(CO)(CO)CCc1nccs1.
What is the InChIKey of 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol?
The InChIKey is LAHYIXNFERUPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-5-9(6-12,7-13)2-1-8-10-3-4-14-8/h3-4,11-13H,1-2,5-7H2.
What are the key properties of 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol?
2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol has a molecular weight of 217.29 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[2-(1,3-thiazol-2-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 67745314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).