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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Related Compounds

5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
CID 105118111
1-(1,3-thiazol-2-yl)pentan-3-one
CID 58326627
6,6-dimethyl-1-(1,3-thiazol-2-yl)heptane-2,4-dione
CID 58474334
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
4-(3-methylphenyl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 105118053
3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103447076
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 157253743
1-(1,3-thiazol-2-yl)but-3-en-2-one
CID 103453622
1-(1,3-dioxolan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 103543774

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).