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

C13H13F3N4O3S — CID 19477527

IUPACethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H13F3N4O3S/c1-3-23-10(21)4-7-6-24-12(17-7)18-11(22)8-5-9(13(14,15)16)19-20(8)2/h5-6H,3-4H2,1-2H3,(H,17,18,22)
InChIKeyOASAQUSZAVKLSO-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.25
Rot. Bonds5

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

ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19477527) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19477527
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC Nameethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C13H13F3N4O3S/c1-3-23-10(21)4-7-6-24-12(17-7)18-11(22)8-5-9(13(14,15)16)19-20(8)2/h5-6H,3-4H2,1-2H3,(H,17,18,22)
InChIKeyOASAQUSZAVKLSO-UHFFFAOYSA-N
XLogP2.25
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19617230
ethyl 2-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19530829
ethyl 2-[2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19475057
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[(1-phenyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 52900111
ethyl 2-[2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19447415
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 52661680
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 19477527) is ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OASAQUSZAVKLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-3-23-10(21)4-7-6-24-12(17-7)18-11(22)8-5-9(13(14,15)16)19-20(8)2/h5-6H,3-4H2,1-2H3,(H,17,18,22).
What are the key properties of ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 362.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19477527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).