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

C11H13N3O2S — CID 114556482

IUPACmethyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCn1nccc1-c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-14-8(5-6-12-14)10-13-9(7(2)17-10)11(15)16-3/h5-6H,4H2,1-3H3
InChIKeyILNISQSJUYFBJM-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.12
Rot. Bonds3

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

methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 114556482) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID114556482
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCn1nccc1-c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C11H13N3O2S/c1-4-14-8(5-6-12-14)10-13-9(7(2)17-10)11(15)16-3/h5-6H,4H2,1-3H3
InChIKeyILNISQSJUYFBJM-UHFFFAOYSA-N
XLogP2.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 114556482) is methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is CCn1nccc1-c1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ILNISQSJUYFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-14-8(5-6-12-14)10-13-9(7(2)17-10)11(15)16-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114556482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).