2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol

C12H19NO2S — CID 112641948

IUPAC2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
SMILESCCCC1CC(O)(Cc2cncs2)CCO1
InChIInChI=1S/C12H19NO2S/c1-2-3-10-6-12(14,4-5-15-10)7-11-8-13-9-16-11/h8-10,14H,2-7H2,1H3
InChIKeyMVXQAYFBTPMOOF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.40
Rot. Bonds4

About 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol

2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol (PubChem CID 112641948) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
PubChem CID112641948
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
SMILESCCCC1CC(O)(Cc2cncs2)CCO1
InChIInChI=1S/C12H19NO2S/c1-2-3-10-6-12(14,4-5-15-10)7-11-8-13-9-16-11/h8-10,14H,2-7H2,1H3
InChIKeyMVXQAYFBTPMOOF-UHFFFAOYSA-N
XLogP2.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The IUPAC name of 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol (CID 112641948) is 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol.
What is the SMILES notation for 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The canonical SMILES for 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol is CCCC1CC(O)(Cc2cncs2)CCO1.
What is the InChIKey of 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
The InChIKey is MVXQAYFBTPMOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-3-10-6-12(14,4-5-15-10)7-11-8-13-9-16-11/h8-10,14H,2-7H2,1H3.
What are the key properties of 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol?
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol has a molecular weight of 241.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol is sourced from PubChem (CID 112641948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).