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

C9H15NO2S — CID 105123338

IUPAC1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyQDVQQZSMVGOSSR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds5

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

1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 105123338) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID105123338
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)OCC(O)Cc1cncs1
InChIInChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3
InChIKeyQDVQQZSMVGOSSR-UHFFFAOYSA-N
XLogP1.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105331931
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
4-amino-1-(1,3-thiazol-5-yl)butan-2-ol
CID 82411793
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
2-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104579074
3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642616
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 115979152
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
(2S)-2-hydroxy-3-(1,3-thiazol-5-yl)propanoic acid
CID 124595713
1-(2,6-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642505
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol (CID 105123338) is 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol is CC(C)OCC(O)Cc1cncs1.
What is the InChIKey of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is QDVQQZSMVGOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7(2)12-5-8(11)3-9-4-10-6-13-9/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol?
1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 105123338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).