acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)

C17H28N6O2S3 — CID 173153334

IUPACacetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
SMILESCC(=O)O.CCc1csc(N)n1.CCc1csc(N)n1.CCc1csc(N)n1
InChIInChI=1S/3C5H8N2S.C2H4O2/c3*1-2-4-3-8-5(6)7-4;1-2(3)4/h3*3H,2H2,1H3,(H2,6,7);1H3,(H,3,4)
InChIKeyVFIYEZWUVGSSII-UHFFFAOYSA-N
MW444.65 g/mol
LogP3.95
Rot. Bonds3

About acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)

acetic acid;tris(4-ethyl-1,3-thiazol-2-amine) (PubChem CID 173153334) has the molecular formula C17H28N6O2S3 and a molecular weight of 444.65 g/mol. Its IUPAC name is acetic acid;tris(4-ethyl-1,3-thiazol-2-amine).

Molecular Properties

Compound Nameacetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
PubChem CID173153334
Molecular FormulaC17H28N6O2S3
Molecular Weight444.65 g/mol
Exact Mass444.14
IUPAC Nameacetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
SMILESCC(=O)O.CCc1csc(N)n1.CCc1csc(N)n1.CCc1csc(N)n1
InChIInChI=1S/3C5H8N2S.C2H4O2/c3*1-2-4-3-8-5(6)7-4;1-2(3)4/h3*3H,2H2,1H3,(H2,6,7);1H3,(H,3,4)
InChIKeyVFIYEZWUVGSSII-UHFFFAOYSA-N
XLogP3.95
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)?
The IUPAC name of acetic acid;tris(4-ethyl-1,3-thiazol-2-amine) (CID 173153334) is acetic acid;tris(4-ethyl-1,3-thiazol-2-amine).
What is the SMILES notation for acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)?
The canonical SMILES for acetic acid;tris(4-ethyl-1,3-thiazol-2-amine) is CC(=O)O.CCc1csc(N)n1.CCc1csc(N)n1.CCc1csc(N)n1.
What is the InChIKey of acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)?
The InChIKey is VFIYEZWUVGSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H8N2S.C2H4O2/c3*1-2-4-3-8-5(6)7-4;1-2(3)4/h3*3H,2H2,1H3,(H2,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)?
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine) has a molecular weight of 444.65 g/mol, XLogP of 3.95, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tris(4-ethyl-1,3-thiazol-2-amine) is sourced from PubChem (CID 173153334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).