(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol

C14H17NO3S — CID 134923056

IUPAC(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESC[C@@H](OCOCc1ccccc1)[C@H](O)c1nccs1
InChIInChI=1S/C14H17NO3S/c1-11(13(16)14-15-7-8-19-14)18-10-17-9-12-5-3-2-4-6-12/h2-8,11,13,16H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyOJHOSKUVCBKFIQ-YPMHNXCESA-N
MW279.36 g/mol
LogP2.76
Rot. Bonds7

About (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol

(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 134923056) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID134923056
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESC[C@@H](OCOCc1ccccc1)[C@H](O)c1nccs1
InChIInChI=1S/C14H17NO3S/c1-11(13(16)14-15-7-8-19-14)18-10-17-9-12-5-3-2-4-6-12/h2-8,11,13,16H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyOJHOSKUVCBKFIQ-YPMHNXCESA-N
XLogP2.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol (CID 134923056) is (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol is C[C@@H](OCOCc1ccccc1)[C@H](O)c1nccs1.
What is the InChIKey of (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is OJHOSKUVCBKFIQ-YPMHNXCESA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11(13(16)14-15-7-8-19-14)18-10-17-9-12-5-3-2-4-6-12/h2-8,11,13,16H,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol?
(1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 279.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(phenylmethoxymethoxy)-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 134923056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).