acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol

C15H21NO3S — CID 174888616

IUPACacetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol
SMILESCC(=O)O.CCc1ccccc1.CCc1ncc(O)s1
InChIInChI=1S/C8H10.C5H7NOS.C2H4O2/c1-2-8-6-4-3-5-7-8;1-2-4-6-3-5(7)8-4;1-2(3)4/h3-7H,2H2,1H3;3,7H,2H2,1H3;1H3,(H,3,4)
InChIKeyAKYDTBYLPFJQKO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.75
Rot. Bonds2

About acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol

acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol (PubChem CID 174888616) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol.

Molecular Properties

Compound Nameacetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol
PubChem CID174888616
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameacetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol
SMILESCC(=O)O.CCc1ccccc1.CCc1ncc(O)s1
InChIInChI=1S/C8H10.C5H7NOS.C2H4O2/c1-2-8-6-4-3-5-7-8;1-2-4-6-3-5(7)8-4;1-2(3)4/h3-7H,2H2,1H3;3,7H,2H2,1H3;1H3,(H,3,4)
InChIKeyAKYDTBYLPFJQKO-UHFFFAOYSA-N
XLogP3.75
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol?
The IUPAC name of acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol (CID 174888616) is acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol.
What is the SMILES notation for acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol?
The canonical SMILES for acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol is CC(=O)O.CCc1ccccc1.CCc1ncc(O)s1.
What is the InChIKey of acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol?
The InChIKey is AKYDTBYLPFJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H7NOS.C2H4O2/c1-2-8-6-4-3-5-7-8;1-2-4-6-3-5(7)8-4;1-2(3)4/h3-7H,2H2,1H3;3,7H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol?
acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol has a molecular weight of 295.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol is sourced from PubChem (CID 174888616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).