1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone

C11H18N2OS — CID 64544411

IUPAC1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCN(CC)CCc1nc(C(C)=O)cs1
InChIInChI=1S/C11H18N2OS/c1-4-13(5-2)7-6-11-12-10(8-15-11)9(3)14/h8H,4-7H2,1-3H3
InChIKeyAKKABPBVPVIVOK-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.23
Rot. Bonds6

About 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone

1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 64544411) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID64544411
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCN(CC)CCc1nc(C(C)=O)cs1
InChIInChI=1S/C11H18N2OS/c1-4-13(5-2)7-6-11-12-10(8-15-11)9(3)14/h8H,4-7H2,1-3H3
InChIKeyAKKABPBVPVIVOK-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
CID 82515623
1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
CID 82516467
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 131008296
2-[(dipropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159949
2-(2-aminoethyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639449
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
4-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]benzonitrile
CID 63152237
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone (CID 64544411) is 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone is CCN(CC)CCc1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is AKKABPBVPVIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-13(5-2)7-6-11-12-10(8-15-11)9(3)14/h8H,4-7H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 226.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).