3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one

C12H21NOS — CID 89447078

IUPAC3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)n(C(C)C)c1C(C)C
InChIInChI=1S/C12H21NOS/c1-7(2)10-11(8(3)4)15-12(14)13(10)9(5)6/h7-9H,1-6H3
InChIKeyUVYWCLAKJRQALN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.74
Rot. Bonds3

About 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one

3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one (PubChem CID 89447078) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one
PubChem CID89447078
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)n(C(C)C)c1C(C)C
InChIInChI=1S/C12H21NOS/c1-7(2)10-11(8(3)4)15-12(14)13(10)9(5)6/h7-9H,1-6H3
InChIKeyUVYWCLAKJRQALN-UHFFFAOYSA-N
XLogP3.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one?
The IUPAC name of 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one (CID 89447078) is 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one is CC(C)c1sc(=O)n(C(C)C)c1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one?
The InChIKey is UVYWCLAKJRQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-7(2)10-11(8(3)4)15-12(14)13(10)9(5)6/h7-9H,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one?
3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one has a molecular weight of 227.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 89447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).