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

C14H15F3N4O3S — CID 19519146

IUPACethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C14H15F3N4O3S/c1-3-24-12(23)5-9-7-25-13(18-9)19-11(22)6-21-8(2)4-10(20-21)14(15,16)17/h4,7H,3,5-6H2,1-2H3,(H,18,19,22)
InChIKeyITJYSMXUAAZWFN-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.41
Rot. Bonds6

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

ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19519146) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19519146
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Nameethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C14H15F3N4O3S/c1-3-24-12(23)5-9-7-25-13(18-9)19-11(22)6-21-8(2)4-10(20-21)14(15,16)17/h4,7H,3,5-6H2,1-2H3,(H,18,19,22)
InChIKeyITJYSMXUAAZWFN-UHFFFAOYSA-N
XLogP2.41
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
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
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3546802
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4771535
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 19519146) is ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(C(F)(F)F)cc2C)n1.
What is the InChIKey of ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ITJYSMXUAAZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-3-24-12(23)5-9-7-25-13(18-9)19-11(22)6-21-8(2)4-10(20-21)14(15,16)17/h4,7H,3,5-6H2,1-2H3,(H,18,19,22).
What are the key properties of ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 376.36 g/mol, XLogP of 2.41, 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19519146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).