ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

C12H14N4O3S — CID 16952133

IUPACethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C12H14N4O3S/c1-4-19-11(18)9-6-20-12(13-9)14-10(17)8-5-7(2)16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,17)
InChIKeyFXPYEJNLXLUWHW-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.61
Rot. Bonds4

About ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 16952133) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID16952133
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C12H14N4O3S/c1-4-19-11(18)9-6-20-12(13-9)14-10(17)8-5-7(2)16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,17)
InChIKeyFXPYEJNLXLUWHW-UHFFFAOYSA-N
XLogP1.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 16952133) is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(C)n(C)n2)n1.
What is the InChIKey of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is FXPYEJNLXLUWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-4-19-11(18)9-6-20-12(13-9)14-10(17)8-5-7(2)16(3)15-8/h5-6H,4H2,1-3H3,(H,13,14,17).
What are the key properties of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 16952133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).