1-(1,3-thiazol-2-yl)pentan-2-one

C8H11NOS — CID 63199328

IUPAC1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nccs1
InChIInChI=1S/C8H11NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5H,2-3,6H2,1H3
InChIKeyMAAFITCVXNOKRG-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.05
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)pentan-2-one

1-(1,3-thiazol-2-yl)pentan-2-one (PubChem CID 63199328) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pentan-2-one
PubChem CID63199328
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nccs1
InChIInChI=1S/C8H11NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5H,2-3,6H2,1H3
InChIKeyMAAFITCVXNOKRG-UHFFFAOYSA-N
XLogP2.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)pentan-2-one (CID 63199328) is 1-(1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pentan-2-one is CCCC(=O)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is MAAFITCVXNOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)pentan-2-one?
1-(1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 169.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 63199328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).