1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

C10H13NO2S — CID 88855066

IUPAC1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)C2CO2)cs1
InChIInChI=1S/C10H13NO2S/c1-6(2)10-11-7(5-14-10)3-8(12)9-4-13-9/h5-6,9H,3-4H2,1-2H3
InChIKeyXIPLDUKIZFGZAK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.78
Rot. Bonds4

About 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 88855066) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID88855066
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)C2CO2)cs1
InChIInChI=1S/C10H13NO2S/c1-6(2)10-11-7(5-14-10)3-8(12)9-4-13-9/h5-6,9H,3-4H2,1-2H3
InChIKeyXIPLDUKIZFGZAK-UHFFFAOYSA-N
XLogP1.78
TPSA42.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 88855066) is 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is CC(C)c1nc(CC(=O)C2CO2)cs1.
What is the InChIKey of 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is XIPLDUKIZFGZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(2)10-11-7(5-14-10)3-8(12)9-4-13-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 88855066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).