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

C9H15NOS — CID 89447089

IUPAC3,4-di(propan-2-yl)-1,3-thiazol-2-one
SMILESCC(C)c1csc(=O)n1C(C)C
InChIInChI=1S/C9H15NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7H,1-4H3
InChIKeyVECRREMMEBQVIT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds2

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

3,4-di(propan-2-yl)-1,3-thiazol-2-one (PubChem CID 89447089) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,3-thiazol-2-one
PubChem CID89447089
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3,4-di(propan-2-yl)-1,3-thiazol-2-one
SMILESCC(C)c1csc(=O)n1C(C)C
InChIInChI=1S/C9H15NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7H,1-4H3
InChIKeyVECRREMMEBQVIT-UHFFFAOYSA-N
XLogP2.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,3-thiazol-2-one?
The IUPAC name of 3,4-di(propan-2-yl)-1,3-thiazol-2-one (CID 89447089) is 3,4-di(propan-2-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3,4-di(propan-2-yl)-1,3-thiazol-2-one is CC(C)c1csc(=O)n1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,3-thiazol-2-one?
The InChIKey is VECRREMMEBQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6(2)8-5-12-9(11)10(8)7(3)4/h5-7H,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,3-thiazol-2-one?
3,4-di(propan-2-yl)-1,3-thiazol-2-one has a molecular weight of 185.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 89447089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).