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

C15H18N2O2S — CID 82227258

IUPAC4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CN(CC)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-3-12-14(15(18)19)20-13(16-12)10-17(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyVDOJCPMVPHNEOC-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.43
Rot. Bonds6

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

4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82227258) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82227258
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CN(CC)c2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S/c1-3-12-14(15(18)19)20-13(16-12)10-17(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyVDOJCPMVPHNEOC-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94970822
2-[(N-ethyl-3-methylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160887
2-[(N-benzylanilino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160889
2-[(N-ethylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39160028
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
4-ethyl-2-(naphthalen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 83969610
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838467
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
4-ethyl-2-[3-(2-ethylphenoxy)propyl]-1,3-thiazole-5-carboxylic acid
CID 94760604
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 113459536
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethylaniline
CID 80610847

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid (CID 82227258) is 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid is CCc1nc(CN(CC)c2ccccc2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VDOJCPMVPHNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-12-14(15(18)19)20-13(16-12)10-17(4-2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(N-ethylanilino)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).