ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate

C12H14N4O3S — CID 39723937

IUPACethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cccn2)nc1C
InChIInChI=1S/C12H14N4O3S/c1-3-19-11(18)10-8(2)14-12(20-10)15-9(17)7-16-6-4-5-13-16/h4-6H,3,7H2,1-2H3,(H,14,15,17)
InChIKeyFPTDLTZPPPKOKR-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.46
Rot. Bonds5

About ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 39723937) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID39723937
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cccn2)nc1C
InChIInChI=1S/C12H14N4O3S/c1-3-19-11(18)10-8(2)14-12(20-10)15-9(17)7-16-6-4-5-13-16/h4-6H,3,7H2,1-2H3,(H,14,15,17)
InChIKeyFPTDLTZPPPKOKR-UHFFFAOYSA-N
XLogP1.46
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate (CID 39723937) is ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is FPTDLTZPPPKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-19-11(18)10-8(2)14-12(20-10)15-9(17)7-16-6-4-5-13-16/h4-6H,3,7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39723937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).