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

C8H11NOS — CID 58326627

IUPAC1-(1,3-thiazol-2-yl)pentan-3-one
SMILESCCC(=O)CCc1nccs1
InChIInChI=1S/C8H11NOS/c1-2-7(10)3-4-8-9-5-6-11-8/h5-6H,2-4H2,1H3
InChIKeyNAMDGQWBTWSZBM-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.05
Rot. Bonds4

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

1-(1,3-thiazol-2-yl)pentan-3-one (PubChem CID 58326627) 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-3-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pentan-3-one
PubChem CID58326627
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(1,3-thiazol-2-yl)pentan-3-one
SMILESCCC(=O)CCc1nccs1
InChIInChI=1S/C8H11NOS/c1-2-7(10)3-4-8-9-5-6-11-8/h5-6H,2-4H2,1H3
InChIKeyNAMDGQWBTWSZBM-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

3-(1,3-thiazol-2-yl)propanamide
CID 45121787
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
3-methyl-2-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119212051
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
CID 75417005
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
CID 136524578
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 110388295
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
4-(3-methylphenyl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 105118053

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pentan-3-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)pentan-3-one (CID 58326627) is 1-(1,3-thiazol-2-yl)pentan-3-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pentan-3-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pentan-3-one is CCC(=O)CCc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pentan-3-one?
The InChIKey is NAMDGQWBTWSZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-7(10)3-4-8-9-5-6-11-8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)pentan-3-one?
1-(1,3-thiazol-2-yl)pentan-3-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-3-one is sourced from PubChem (CID 58326627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).