[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone

C12H19N3O2S — CID 66390207

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H19N3O2S/c1-2-9-7-17-6-5-15(9)12(16)10-8-18-11(14-10)3-4-13/h8-9H,2-7,13H2,1H3
InChIKeyHUMIOBVPEPAPMY-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.90
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 66390207) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID66390207
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C12H19N3O2S/c1-2-9-7-17-6-5-15(9)12(16)10-8-18-11(14-10)3-4-13/h8-9H,2-7,13H2,1H3
InChIKeyHUMIOBVPEPAPMY-UHFFFAOYSA-N
XLogP0.90
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696729
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
CID 120630860
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698306
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 66389353
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120645469
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone (CID 66390207) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is HUMIOBVPEPAPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-9-7-17-6-5-15(9)12(16)10-8-18-11(14-10)3-4-13/h8-9H,2-7,13H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 66390207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).