2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

C14H16N2O3S — CID 107856368

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(CCNc2nc(C(=O)O)c(C)s2)c1
InChIInChI=1S/C14H16N2O3S/c1-9-12(13(17)18)16-14(20-9)15-7-6-10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPHGACZKDIIFWAD-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 107856368) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID107856368
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1cccc(CCNc2nc(C(=O)O)c(C)s2)c1
InChIInChI=1S/C14H16N2O3S/c1-9-12(13(17)18)16-14(20-9)15-7-6-10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPHGACZKDIIFWAD-UHFFFAOYSA-N
XLogP2.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424262
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
methyl 2-[2-[2-(3-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 107856367
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
CID 114009306
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
1-[4-[6-[2-(3-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367837
azepan-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 107856368) is 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is COc1cccc(CCNc2nc(C(=O)O)c(C)s2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is PHGACZKDIIFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-12(13(17)18)16-14(20-9)15-7-6-10-4-3-5-11(8-10)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107856368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).