4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol

C9H13NO2S — CID 86176313

IUPAC4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol
SMILESCc1csc(C2(O)CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-7-6-13-8(10-7)9(11)2-4-12-5-3-9/h6,11H,2-5H2,1H3
InChIKeyYZNZCTLWUSVEOJ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.45
Rot. Bonds1

About 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol

4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol (PubChem CID 86176313) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol
PubChem CID86176313
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol
SMILESCc1csc(C2(O)CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-7-6-13-8(10-7)9(11)2-4-12-5-3-9/h6,11H,2-5H2,1H3
InChIKeyYZNZCTLWUSVEOJ-UHFFFAOYSA-N
XLogP1.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol (CID 86176313) is 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol is Cc1csc(C2(O)CCOCC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol?
The InChIKey is YZNZCTLWUSVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-6-13-8(10-7)9(11)2-4-12-5-3-9/h6,11H,2-5H2,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol?
4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol has a molecular weight of 199.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-ol is sourced from PubChem (CID 86176313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).