3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one

C14H24N2OS — CID 112642392

IUPAC3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cncs1
InChIInChI=1S/C14H24N2OS/c1-5-14(6-2,16(7-3)8-4)13(17)9-12-10-15-11-18-12/h10-11H,5-9H2,1-4H3
InChIKeyBZFJENLAPNNKKN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.16
Rot. Bonds8

About 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one

3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one (PubChem CID 112642392) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
PubChem CID112642392
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cncs1
InChIInChI=1S/C14H24N2OS/c1-5-14(6-2,16(7-3)8-4)13(17)9-12-10-15-11-18-12/h10-11H,5-9H2,1-4H3
InChIKeyBZFJENLAPNNKKN-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-hydroxy-1-(1,3-thiazol-5-yl)pentan-2-one
CID 103446921
3-ethoxy-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 116747279
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-one
CID 112642383
ethyl(1,3-thiazol-5-ylmethyl)carbamic acid
CID 70246505
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
3-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116708185
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
1-(1-methylcyclopropyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642434
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The IUPAC name of 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one (CID 112642392) is 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The canonical SMILES for 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one is CCN(CC)C(CC)(CC)C(=O)Cc1cncs1.
What is the InChIKey of 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
The InChIKey is BZFJENLAPNNKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-14(6-2,16(7-3)8-4)13(17)9-12-10-15-11-18-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one?
3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one has a molecular weight of 268.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-1-(1,3-thiazol-5-yl)pentan-2-one is sourced from PubChem (CID 112642392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).