[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone

C14H16N2O2S — CID 116585581

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-12(18-2)10(7-9)14(17)11-8-19-13(16-11)5-6-15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyZDBDTDUROZZZOT-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.19
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 116585581) 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-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID116585581
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-12(18-2)10(7-9)14(17)11-8-19-13(16-11)5-6-15/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyZDBDTDUROZZZOT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
CID 116585385
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426
2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617060
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone (CID 116585581) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is ZDBDTDUROZZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-3-4-12(18-2)10(7-9)14(17)11-8-19-13(16-11)5-6-15/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.19, 5 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-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 116585581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).