ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C14H16F2N4O3S — CID 19516569

IUPACethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C)cc2C(F)F)n1
InChIInChI=1S/C14H16F2N4O3S/c1-3-23-12(22)5-9-7-24-14(17-9)18-11(21)6-20-10(13(15)16)4-8(2)19-20/h4,7,13H,3,5-6H2,1-2H3,(H,17,18,21)
InChIKeySOMJHYGBYKCYDZ-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.33
Rot. Bonds7

About ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19516569) has the molecular formula C14H16F2N4O3S and a molecular weight of 358.37 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19516569
Molecular FormulaC14H16F2N4O3S
Molecular Weight358.37 g/mol
Exact Mass358.09
IUPAC Nameethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C)cc2C(F)F)n1
InChIInChI=1S/C14H16F2N4O3S/c1-3-23-12(22)5-9-7-24-14(17-9)18-11(21)6-20-10(13(15)16)4-8(2)19-20/h4,7,13H,3,5-6H2,1-2H3,(H,17,18,21)
InChIKeySOMJHYGBYKCYDZ-UHFFFAOYSA-N
XLogP2.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
ethyl 4-methyl-2-[{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}(propyl)amino]-1,3-thiazole-5-carboxylate
CID 17026403
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
N-[2-[[4-(N'-hydroxycarbamimidoyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 174081817
Ethyl 2-[2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19267650
Ethyl 2-[2-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19267940
Ethyl 2-[2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19268241
Ethyl 2-[2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19268537
Ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19477527
Ethyl 2-[2-[[4-bromo-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19481000
Ethyl 2-[2-[[4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19481588
Ethyl 2-[2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19506820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 19516569) is ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(C)cc2C(F)F)n1.
What is the InChIKey of ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SOMJHYGBYKCYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3S/c1-3-23-12(22)5-9-7-24-14(17-9)18-11(21)6-20-10(13(15)16)4-8(2)19-20/h4,7,13H,3,5-6H2,1-2H3,(H,17,18,21).
What are the key properties of ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 358.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19516569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).