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

C8H11NOS — CID 64544412

IUPAC1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C8H11NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3
InChIKeyFLSBSCXHPKJRAN-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.47
Rot. Bonds2

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

1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 64544412) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID64544412
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C8H11NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3
InChIKeyFLSBSCXHPKJRAN-UHFFFAOYSA-N
XLogP2.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 64544412) is 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(C(C)C)n1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FLSBSCXHPKJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 169.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 64544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).