4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid

C14H16N2O3S — CID 62763927

IUPAC4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)c2ccc(OC)cc2)sc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-4-11-12(13(17)18)20-14(15-11)16(2)9-5-7-10(19-3)8-6-9/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyIJRVMTNSTWFCMM-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.18
Rot. Bonds5

About 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 62763927) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID62763927
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(C)c2ccc(OC)cc2)sc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-4-11-12(13(17)18)20-14(15-11)16(2)9-5-7-10(19-3)8-6-9/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyIJRVMTNSTWFCMM-UHFFFAOYSA-N
XLogP3.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
4-ethyl-2-methoxy-1,3-thiazole-5-carboxylic acid
CID 19885472
2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765441
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765123
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969621
2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765116
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862
4-ethyl-2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20987539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid (CID 62763927) is 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid is CCc1nc(N(C)c2ccc(OC)cc2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IJRVMTNSTWFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-11-12(13(17)18)20-14(15-11)16(2)9-5-7-10(19-3)8-6-9/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).