(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C12H16N4O2S — CID 66118684

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2csc(C)n2)c1N
InChIInChI=1S/C12H16N4O2S/c1-4-9-10(13)11(16(3)15-9)12(17)18-5-8-6-19-7(2)14-8/h6H,4-5,13H2,1-3H3
InChIKeyPJSXTICYBHUKTO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.69
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66118684) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66118684
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCc2csc(C)n2)c1N
InChIInChI=1S/C12H16N4O2S/c1-4-9-10(13)11(16(3)15-9)12(17)18-5-8-6-19-7(2)14-8/h6H,4-5,13H2,1-3H3
InChIKeyPJSXTICYBHUKTO-UHFFFAOYSA-N
XLogP1.69
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66118684) is (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCc2csc(C)n2)c1N.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is PJSXTICYBHUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-9-10(13)11(16(3)15-9)12(17)18-5-8-6-19-7(2)14-8/h6H,4-5,13H2,1-3H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66118684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).