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

C14H16N2O2S — CID 116585367

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-12-6-4-3-5-10(12)14(17)11-9-19-13(16-11)7-8-15/h3-6,9H,2,7-8,15H2,1H3
InChIKeyNSQVETIEQDGAGG-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.27
Rot. Bonds6

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

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone (PubChem CID 116585367) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
PubChem CID116585367
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16N2O2S/c1-2-18-12-6-4-3-5-10(12)14(17)11-9-19-13(16-11)7-8-15/h3-6,9H,2,7-8,15H2,1H3
InChIKeyNSQVETIEQDGAGG-UHFFFAOYSA-N
XLogP2.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
CID 116585385
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
CID 66780236
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
CID 116585478
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
(2-ethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105097627

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone (CID 116585367) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone?
The InChIKey is NSQVETIEQDGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-12-6-4-3-5-10(12)14(17)11-9-19-13(16-11)7-8-15/h3-6,9H,2,7-8,15H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.27, 6 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]-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 116585367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).