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

C14H14F4N4O3S — CID 19518083

IUPACethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1
InChIInChI=1S/C14H14F4N4O3S/c1-2-25-11(24)3-7-6-26-14(19-7)20-10(23)5-22-9(13(17)18)4-8(21-22)12(15)16/h4,6,12-13H,2-3,5H2,1H3,(H,19,20,23)
InChIKeyWIQIYWBJEMIJQZ-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.96
Rot. Bonds8

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

ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19518083) has the molecular formula C14H14F4N4O3S and a molecular weight of 394.35 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19518083
Molecular FormulaC14H14F4N4O3S
Molecular Weight394.35 g/mol
Exact Mass394.07
IUPAC Nameethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1
InChIInChI=1S/C14H14F4N4O3S/c1-2-25-11(24)3-7-6-26-14(19-7)20-10(23)5-22-9(13(17)18)4-8(21-22)12(15)16/h4,6,12-13H,2-3,5H2,1H3,(H,19,20,23)
InChIKeyWIQIYWBJEMIJQZ-UHFFFAOYSA-N
XLogP2.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
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
ethyl 2-[2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19508186

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 19518083) is ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)n1.
What is the InChIKey of ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is WIQIYWBJEMIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O3S/c1-2-25-11(24)3-7-6-26-14(19-7)20-10(23)5-22-9(13(17)18)4-8(21-22)12(15)16/h4,6,12-13H,2-3,5H2,1H3,(H,19,20,23).
What are the key properties of ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 394.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19518083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).