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

C15H18N2O2S — CID 116585478

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-9-19-12-5-3-11(4-6-12)15(18)13-10-20-14(17-13)7-8-16/h3-6,10H,2,7-9,16H2,1H3
InChIKeyCAROXAYNKAEKON-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds7

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

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone (PubChem CID 116585478) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
PubChem CID116585478
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-9-19-12-5-3-11(4-6-12)15(18)13-10-20-14(17-13)7-8-16/h3-6,10H,2,7-9,16H2,1H3
InChIKeyCAROXAYNKAEKON-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618811
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120618211
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
CID 116585498
2-(2-aminoethyl)-N-[3-(4-fluorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623568
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621
2-(2-aminoethyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621811

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone (CID 116585478) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone?
The InChIKey is CAROXAYNKAEKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-9-19-12-5-3-11(4-6-12)15(18)13-10-20-14(17-13)7-8-16/h3-6,10H,2,7-9,16H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.66, 7 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]-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116585478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).