ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate

C11H12N4O3S — CID 110468023

IUPACethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C(=O)c2nccs2)c1N
InChIInChI=1S/C11H12N4O3S/c1-3-18-11(17)7-6(2)14-15(8(7)12)10(16)9-13-4-5-19-9/h4-5H,3,12H2,1-2H3
InChIKeyQPRBCOYINOKCIM-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.10
Rot. Bonds3

About ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate

ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate (PubChem CID 110468023) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate
PubChem CID110468023
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Nameethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(C(=O)c2nccs2)c1N
InChIInChI=1S/C11H12N4O3S/c1-3-18-11(17)7-6(2)14-15(8(7)12)10(16)9-13-4-5-19-9/h4-5H,3,12H2,1-2H3
InChIKeyQPRBCOYINOKCIM-UHFFFAOYSA-N
XLogP1.10
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
CID 159602190
ethyl 5-amino-1-[(2E,4E)-hexa-2,4-dienoyl]-3-methylpyrazole-4-carboxylate
CID 110461234
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 3-(1,3-thiazol-2-yl)but-2-enoate
CID 171145623
ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837786
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 13166083
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
ethyl 4,5-dihydroxy-3-nitro-2-(1,3-thiazole-2-carbonyl)benzoate
CID 135911664
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
ethyl 5-amino-3-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate
CID 23039896

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate (CID 110468023) is ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(C(=O)c2nccs2)c1N.
What is the InChIKey of ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate?
The InChIKey is QPRBCOYINOKCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-3-18-11(17)7-6(2)14-15(8(7)12)10(16)9-13-4-5-19-9/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate?
ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate is sourced from PubChem (CID 110468023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).