2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol

C9H13NO2S — CID 164648675

IUPAC2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol
SMILESCC1CC(O)(c2cnsc2)CCO1
InChIInChI=1S/C9H13NO2S/c1-7-4-9(11,2-3-12-7)8-5-10-13-6-8/h5-7,11H,2-4H2,1H3
InChIKeyDDJDKSPPKBAXAH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.53
Rot. Bonds1

About 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol

2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol (PubChem CID 164648675) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol
PubChem CID164648675
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol
SMILESCC1CC(O)(c2cnsc2)CCO1
InChIInChI=1S/C9H13NO2S/c1-7-4-9(11,2-3-12-7)8-5-10-13-6-8/h5-7,11H,2-4H2,1H3
InChIKeyDDJDKSPPKBAXAH-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol?
The IUPAC name of 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol (CID 164648675) is 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol.
What is the SMILES notation for 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol?
The canonical SMILES for 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol is CC1CC(O)(c2cnsc2)CCO1.
What is the InChIKey of 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol?
The InChIKey is DDJDKSPPKBAXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-4-9(11,2-3-12-7)8-5-10-13-6-8/h5-7,11H,2-4H2,1H3.
What are the key properties of 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol?
2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol has a molecular weight of 199.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2-thiazol-4-yl)oxan-4-ol is sourced from PubChem (CID 164648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).