ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate

C12H13N3O2S — CID 136542662

IUPACethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C=Cc2ccnn2C)n1
InChIInChI=1S/C12H13N3O2S/c1-3-17-12(16)10-8-18-11(14-10)5-4-9-6-7-13-15(9)2/h4-8H,3H2,1-2H3
InChIKeyMUUZKFKXANVVCZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate (PubChem CID 136542662) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate
PubChem CID136542662
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(C=Cc2ccnn2C)n1
InChIInChI=1S/C12H13N3O2S/c1-3-17-12(16)10-8-18-11(14-10)5-4-9-6-7-13-15(9)2/h4-8H,3H2,1-2H3
InChIKeyMUUZKFKXANVVCZ-UHFFFAOYSA-N
XLogP2.22
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-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 2-[2-(5-chloro-1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-4-carboxylate
CID 126834081
ethyl (E)-3-(2-methylpyrazol-3-yl)prop-2-enoate
CID 77230263
4-tert-butyl-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole
CID 126812048
methyl 2-(4-ethoxy-4-oxobut-1-enyl)-1,3-thiazole-4-carboxylate
CID 170796197
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
ethyl 2-[(E)-3-[cyano(methyl)boranyl]-4-methylpent-1-enyl]-1,3-thiazole-4-carboxylate
CID 145466222
N-benzyl-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)methanimine oxide
CID 11543841
ethyl 2-[cyclopropyl-[3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]acetate
CID 76903596
ethyl 2-[3-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-1,3-thiazole-4-carboxylate
CID 170801845
ethyl 2-(5-bromofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115280369
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 2-[2-(dimethylsulfamoyl)pyrazol-3-yl]sulfanyl-1,3-thiazole-4-carboxylate
CID 146571193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate (CID 136542662) is ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C=Cc2ccnn2C)n1.
What is the InChIKey of ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is MUUZKFKXANVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-17-12(16)10-8-18-11(14-10)5-4-9-6-7-13-15(9)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-methylpyrazol-3-yl)ethenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 136542662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).