1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol

C12H12ClNO2S — CID 105123232

IUPAC1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1cncs1
InChIInChI=1S/C12H12ClNO2S/c13-9-1-3-11(4-2-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2
InChIKeyQQHWKJQYKALFHN-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol

1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 105123232) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID105123232
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1cncs1
InChIInChI=1S/C12H12ClNO2S/c13-9-1-3-11(4-2-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2
InChIKeyQQHWKJQYKALFHN-UHFFFAOYSA-N
XLogP2.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123338
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642497
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol (CID 105123232) is 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol is OC(COc1ccc(Cl)cc1)Cc1cncs1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is QQHWKJQYKALFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c13-9-1-3-11(4-2-9)16-7-10(15)5-12-6-14-8-17-12/h1-4,6,8,10,15H,5,7H2.
What are the key properties of 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 269.75 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 105123232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).