ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate

C17H18N4O2S — CID 134816851

IUPACethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)n(C)n1
InChIInChI=1S/C17H18N4O2S/c1-4-23-16(22)13-9-15(21(3)20-13)14-10-24-17(19-14)18-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyVONVUTIKXTVWHD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.77
Rot. Bonds5

About ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate

ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate (PubChem CID 134816851) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate
PubChem CID134816851
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)n(C)n1
InChIInChI=1S/C17H18N4O2S/c1-4-23-16(22)13-9-15(21(3)20-13)14-10-24-17(19-14)18-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyVONVUTIKXTVWHD-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-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

5-(2-Phenyl-4-piperidin-1-yl-thiazol-5-yl)-2H-pyrazole-3-carboxylic Acid Ethyl Ester
CID 10156751
ethyl 5-(4-morpholin-4-yl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 10134622
Ethyl 1-benzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-5-carboxylate
CID 46220952
2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 652422
ethyl 4-[({[4-allyl-5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoate
CID 2946750
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylate
CID 46220737
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 46220738
Ethyl 4-((5-((2-aminothiazol-4-yl)methyl)-1,3,4-thiadiazol-2-yl)amino)benzoate
CID 16460795
Ethyl 5-[2-(3,5-dichloroanilino)thiazol-4-yl]-1-methyl-pyrazole-3-carboxylate
CID 134816881
1-Methyl-5-[2-(4-methylanilino)thiazol-4-yl]pyrazole-3-carboxylic acid
CID 134816908
ethyl 2-(1-methyl-1H-pyrazole-3-amido)-1,3-benzothiazole-6-carboxylate
CID 25284702

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate (CID 134816851) is ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(Nc3ccc(C)cc3)n2)n(C)n1.
What is the InChIKey of ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate?
The InChIKey is VONVUTIKXTVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-23-16(22)13-9-15(21(3)20-13)14-10-24-17(19-14)18-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate?
ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 134816851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).