ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate

C12H15N3O2S — CID 115422116

IUPACethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H15N3O2S/c1-5-17-12(16)9-6-18-11(13-9)10-7(2)14-15(4)8(10)3/h6H,5H2,1-4H3
InChIKeyFEHWVUJEGSKQCV-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.34
Rot. Bonds3

About ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422116) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422116
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Nameethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H15N3O2S/c1-5-17-12(16)9-6-18-11(13-9)10-7(2)14-15(4)8(10)3/h6H,5H2,1-4H3
InChIKeyFEHWVUJEGSKQCV-UHFFFAOYSA-N
XLogP2.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 83091333
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxylate
CID 59345227
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-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
CID 131875535
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
ethyl 2-(4-methyl-3-phenylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 67071923
ethyl 2-[(3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-6-yl]-1,3-thiazole-4-carboxylate
CID 7826768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate (CID 115422116) is ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is FEHWVUJEGSKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-5-17-12(16)9-6-18-11(13-9)10-7(2)14-15(4)8(10)3/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).