2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol

C7H11NO2S — CID 58513735

IUPAC2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol
SMILESCC(CO)(CO)c1nccs1
InChIInChI=1S/C7H11NO2S/c1-7(4-9,5-10)6-8-2-3-11-6/h2-3,9-10H,4-5H2,1H3
InChIKeyWNHGNHUDIXZGFT-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.39
Rot. Bonds3

About 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol

2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol (PubChem CID 58513735) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol
PubChem CID58513735
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol
SMILESCC(CO)(CO)c1nccs1
InChIInChI=1S/C7H11NO2S/c1-7(4-9,5-10)6-8-2-3-11-6/h2-3,9-10H,4-5H2,1H3
InChIKeyWNHGNHUDIXZGFT-UHFFFAOYSA-N
XLogP0.39
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol (CID 58513735) is 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol is CC(CO)(CO)c1nccs1.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol?
The InChIKey is WNHGNHUDIXZGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-7(4-9,5-10)6-8-2-3-11-6/h2-3,9-10H,4-5H2,1H3.
What are the key properties of 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol?
2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol has a molecular weight of 173.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol is sourced from PubChem (CID 58513735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).