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

C14H16N2O2S — CID 116585880

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C14H16N2O2S/c1-3-18-11-6-4-5-10(7-11)13(17)12-8-19-14(16-12)9(2)15/h4-9H,3,15H2,1-2H3
InChIKeyPJZTVTBNHAPHSO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.79
Rot. Bonds5

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

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone (PubChem CID 116585880) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
PubChem CID116585880
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2csc(C(C)N)n2)c1
InChIInChI=1S/C14H16N2O2S/c1-3-18-11-6-4-5-10(7-11)13(17)12-8-19-14(16-12)9(2)15/h4-9H,3,15H2,1-2H3
InChIKeyPJZTVTBNHAPHSO-UHFFFAOYSA-N
XLogP2.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
CID 114520653
2-amino-1-(3-ethoxyphenyl)-2-methoxyethanone
CID 123571041
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291046
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
3-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoic acid
CID 66388542
2-amino-1-(3-ethoxyphenyl)pentan-1-one
CID 116554755
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(3-fluorophenyl)ethanone
CID 116585635
(3-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105122423

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone (CID 116585880) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)c2csc(C(C)N)n2)c1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone?
The InChIKey is PJZTVTBNHAPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-11-6-4-5-10(7-11)13(17)12-8-19-14(16-12)9(2)15/h4-9H,3,15H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 116585880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).