propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol

C12H18N2O2S2 — CID 157494212

IUPACpropan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nccs1.CC(C)=O.c1cscn1
InChIInChI=1S/C6H9NOS.C3H3NS.C3H6O/c1-6(2,8)5-7-3-4-9-5;1-2-5-3-4-1;1-3(2)4/h3-4,8H,1-2H3;1-3H;1-2H3
InChIKeyBXQATTTZARLZPA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.11
Rot. Bonds1

About propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol

propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 157494212) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Namepropan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID157494212
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Namepropan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nccs1.CC(C)=O.c1cscn1
InChIInChI=1S/C6H9NOS.C3H3NS.C3H6O/c1-6(2,8)5-7-3-4-9-5;1-2-5-3-4-1;1-3(2)4/h3-4,8H,1-2H3;1-3H;1-2H3
InChIKeyBXQATTTZARLZPA-UHFFFAOYSA-N
XLogP3.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol (CID 157494212) is propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol is CC(C)(O)c1nccs1.CC(C)=O.c1cscn1.
What is the InChIKey of propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is BXQATTTZARLZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C3H3NS.C3H6O/c1-6(2,8)5-7-3-4-9-5;1-2-5-3-4-1;1-3(2)4/h3-4,8H,1-2H3;1-3H;1-2H3.
What are the key properties of propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol?
propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;1,3-thiazole;2-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 157494212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).