2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C11H18N2O2S — CID 82024576

IUPAC2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)C(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-5-13(6-2)8(4)10-12-7(3)9(16-10)11(14)15/h8H,5-6H2,1-4H3,(H,14,15)
InChIKeySAFKNQJKOZAKIA-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.55
Rot. Bonds5

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

2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82024576) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82024576
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)C(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-5-13(6-2)8(4)10-12-7(3)9(16-10)11(14)15/h8H,5-6H2,1-4H3,(H,14,15)
InChIKeySAFKNQJKOZAKIA-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,2-dihydroxybutyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 171893885
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
4-methyl-2-(2-methylbutanoyl)-1,3-thiazole-5-carboxylic acid
CID 165484770
2-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158614
2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 116744696
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
2-(4-acetylsulfanyl-1,2-dihydroxybutyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 171875969
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
4-methyl-2-[1-(4-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxylic acid
CID 16642345
2-[(S)-dimethylamino-(2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39395610
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 82024576) is 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCN(CC)C(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SAFKNQJKOZAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-13(6-2)8(4)10-12-7(3)9(16-10)11(14)15/h8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82024576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).