1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone

C9H13NOS — CID 12954406

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C9H13NOS/c1-6(11)8-10-7(5-12-8)9(2,3)4/h5H,1-4H3
InChIKeyOZSZXKOISGWNQP-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.64
Rot. Bonds1

About 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone

1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone (PubChem CID 12954406) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
PubChem CID12954406
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C9H13NOS/c1-6(11)8-10-7(5-12-8)9(2,3)4/h5H,1-4H3
InChIKeyOZSZXKOISGWNQP-UHFFFAOYSA-N
XLogP2.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone (CID 12954406) is 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone is CC(=O)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is OZSZXKOISGWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(11)8-10-7(5-12-8)9(2,3)4/h5H,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone?
1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 183.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 12954406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).