ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate

C12H16N4O2S — CID 79375656

IUPACethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cnn(CC)c1
InChIInChI=1S/C12H16N4O2S/c1-4-16-7-9(6-13-16)14-11-10(8(3)15-19-11)12(17)18-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyKOXYZZSVCIRTEM-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.59
Rot. Bonds5

About ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79375656) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79375656
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Nameethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1Nc1cnn(CC)c1
InChIInChI=1S/C12H16N4O2S/c1-4-16-7-9(6-13-16)14-11-10(8(3)15-19-11)12(17)18-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyKOXYZZSVCIRTEM-UHFFFAOYSA-N
XLogP2.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 3-methyl-5-(2,4,5-trichloroanilino)-1,2-thiazole-4-carboxylate
CID 79370989
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 80569285
ethyl 5-(4-fluoro-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 114841042
ethyl 4-amino-3-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 82785137
ethyl 3-amino-2-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 115934164
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone
CID 79363948
ethyl 5-(3-fluoro-2-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364095

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 79375656) is ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1Nc1cnn(CC)c1.
What is the InChIKey of ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is KOXYZZSVCIRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-16-7-9(6-13-16)14-11-10(8(3)15-19-11)12(17)18-5-2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79375656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).