1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol

C13H15NO2S — CID 43504474

IUPAC1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C13H15NO2S/c1-2-13(15)10-3-5-12(6-4-10)16-7-11-8-17-9-14-11/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyAGQKBPSOVQZSPW-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol

1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol (PubChem CID 43504474) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
PubChem CID43504474
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C13H15NO2S/c1-2-13(15)10-3-5-12(6-4-10)16-7-11-8-17-9-14-11/h3-6,8-9,13,15H,2,7H2,1H3
InChIKeyAGQKBPSOVQZSPW-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
1-[4-(1,2-oxazol-3-ylmethoxy)phenyl]propan-1-ol
CID 111448152
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967193
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
CID 166360385
1-[4-[(4-iodophenyl)methoxy]phenyl]propan-1-ol
CID 65476802
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
1-[4-(1-hydroxypropyl)phenoxy]butan-2-ol
CID 60887102
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol (CID 43504474) is 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol is CCC(O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is AGQKBPSOVQZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-13(15)10-3-5-12(6-4-10)16-7-11-8-17-9-14-11/h3-6,8-9,13,15H,2,7H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol?
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 43504474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).