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

C12H15N3O2S — CID 5347500

IUPACethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C12H15N3O2S/c1-5-17-11(16)10-9(4)13-12(18-10)15-8(3)6-7(2)14-15/h6H,5H2,1-4H3
InChIKeyFVMNYANAHOIVLA-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.43
Rot. Bonds3

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

ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 5347500) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID5347500
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Nameethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C12H15N3O2S/c1-5-17-11(16)10-9(4)13-12(18-10)15-8(3)6-7(2)14-15/h6H,5H2,1-4H3
InChIKeyFVMNYANAHOIVLA-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 5347500) is ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FVMNYANAHOIVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-5-17-11(16)10-9(4)13-12(18-10)15-8(3)6-7(2)14-15/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).