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

C7H11NO2S — CID 130671124

IUPAC2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
SMILESCC(C)(O)C(O)c1ccsn1
InChIInChI=1S/C7H11NO2S/c1-7(2,10)6(9)5-3-4-11-8-5/h3-4,6,9-10H,1-2H3
InChIKeyNCBQPASDUHDGFJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.95
Rot. Bonds2

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

2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol (PubChem CID 130671124) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
PubChem CID130671124
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
SMILESCC(C)(O)C(O)c1ccsn1
InChIInChI=1S/C7H11NO2S/c1-7(2,10)6(9)5-3-4-11-8-5/h3-4,6,9-10H,1-2H3
InChIKeyNCBQPASDUHDGFJ-UHFFFAOYSA-N
XLogP0.95
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
1-(Isothiazol-3-yl)ethanol
CID 19017861
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol?
The IUPAC name of 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol (CID 130671124) is 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol?
The canonical SMILES for 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol is CC(C)(O)C(O)c1ccsn1.
What is the InChIKey of 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol?
The InChIKey is NCBQPASDUHDGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-7(2,10)6(9)5-3-4-11-8-5/h3-4,6,9-10H,1-2H3.
What are the key properties of 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol?
2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol has a molecular weight of 173.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol is sourced from PubChem (CID 130671124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).