ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C12H12F2N4O3S — CID 19506820

IUPACethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccnn2C(F)F)n1
InChIInChI=1S/C12H12F2N4O3S/c1-2-21-9(19)5-7-6-22-12(16-7)17-10(20)8-3-4-15-18(8)11(13)14/h3-4,6,11H,2,5H2,1H3,(H,16,17,20)
InChIKeyMAKZDTGFKWXKGB-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.09
Rot. Bonds6

About ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19506820) has the molecular formula C12H12F2N4O3S and a molecular weight of 330.32 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19506820
Molecular FormulaC12H12F2N4O3S
Molecular Weight330.32 g/mol
Exact Mass330.06
IUPAC Nameethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccnn2C(F)F)n1
InChIInChI=1S/C12H12F2N4O3S/c1-2-21-9(19)5-7-6-22-12(16-7)17-10(20)8-3-4-15-18(8)11(13)14/h3-4,6,11H,2,5H2,1H3,(H,16,17,20)
InChIKeyMAKZDTGFKWXKGB-UHFFFAOYSA-N
XLogP2.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
3-(Thiazol-2-ylcarbamoyl)-pyrazole-1-carboxylic acid sec-butyl ester
CID 646212
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
1-Ethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 891818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276
ethyl 4-methyl-2-(1-methyl-1H-pyrazole-5-amido)-1,3-thiazole-5-carboxylate
CID 25284525
ethyl 2-(1-methyl-1H-pyrazole-3-amido)-1,3-thiazole-4-carboxylate
CID 25284673
ethyl 2-(1-methyl-1H-pyrazole-5-amido)-1,3-thiazole-4-carboxylate
CID 25835688
ethyl 2-(1-ethyl-1H-pyrazole-5-amido)-1,3-thiazole-4-carboxylate
CID 25854594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 19506820) is ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccnn2C(F)F)n1.
What is the InChIKey of ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MAKZDTGFKWXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3S/c1-2-21-9(19)5-7-6-22-12(16-7)17-10(20)8-3-4-15-18(8)11(13)14/h3-4,6,11H,2,5H2,1H3,(H,16,17,20).
What are the key properties of ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 330.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19506820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).