1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol

C8H13NO2S — CID 79823869

IUPAC1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1nccs1
InChIInChI=1S/C8H13NO2S/c1-8(10,6-11-2)5-7-9-3-4-12-7/h3-4,10H,5-6H2,1-2H3
InChIKeyAFNXPNSSDNUMCX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.08
Rot. Bonds4

About 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol

1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79823869) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79823869
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1nccs1
InChIInChI=1S/C8H13NO2S/c1-8(10,6-11-2)5-7-9-3-4-12-7/h3-4,10H,5-6H2,1-2H3
InChIKeyAFNXPNSSDNUMCX-UHFFFAOYSA-N
XLogP1.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79823869) is 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol is COCC(C)(O)Cc1nccs1.
What is the InChIKey of 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is AFNXPNSSDNUMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-8(10,6-11-2)5-7-9-3-4-12-7/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol?
1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79823869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).