1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol

C12H12FNO2S — CID 142639747

IUPAC1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol
SMILESOC(COc1ccc(F)cc1)Cc1cscn1
InChIInChI=1S/C12H12FNO2S/c13-9-1-3-12(4-2-9)16-6-11(15)5-10-7-17-8-14-10/h1-4,7-8,11,15H,5-6H2
InChIKeyQKYWLCAZXMTFRN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol

1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol (PubChem CID 142639747) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol
PubChem CID142639747
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol
SMILESOC(COc1ccc(F)cc1)Cc1cscn1
InChIInChI=1S/C12H12FNO2S/c13-9-1-3-12(4-2-9)16-6-11(15)5-10-7-17-8-14-10/h1-4,7-8,11,15H,5-6H2
InChIKeyQKYWLCAZXMTFRN-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-ol
CID 110146485
4-[(4-Fluorophenoxy)methyl]-1,3-thiazole
CID 60666705
4-[(2-Fluorophenoxy)methyl]-1,3-thiazole
CID 60731083
4-[2-[4-(Trifluoromethyl)phenoxy]ethyl]-1,3-thiazole
CID 71173245
4-[[4-(Fluoromethoxy)phenoxy]methyl]-1,3-thiazole
CID 91215594
4-[3-(2,6-Difluorophenoxy)propyl]-1,3-thiazole
CID 141135135
4-[3-(4-Fluorophenoxy)propyl]-1,3-thiazole
CID 142639745
5-Fluoro-2-[3-(1,3-thiazol-4-yl)propoxy]phenol
CID 142639746
4-[2-(4-Fluorophenoxy)ethyl]-1,3-thiazole
CID 142639749
4-[2-(2-Fluorophenoxy)ethyl]-1,3-thiazole
CID 142639751
5-Fluoro-2-[1-(1,3-thiazol-4-yl)ethoxy]phenol
CID 142639753
2-(4-Fluorophenoxy)-1-(1,3-thiazol-4-yl)ethanol
CID 142639754

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol (CID 142639747) is 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol is OC(COc1ccc(F)cc1)Cc1cscn1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is QKYWLCAZXMTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c13-9-1-3-12(4-2-9)16-6-11(15)5-10-7-17-8-14-10/h1-4,7-8,11,15H,5-6H2.
What are the key properties of 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol?
1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 253.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 142639747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).