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

C14H15F3N4O3S — CID 19521878

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

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

ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19521878) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19521878
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Nameethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cn2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4O3S/c1-3-24-12(23)5-9-7-25-13(18-9)19-11(22)6-21-10(14(15,16)17)4-8(2)20-21/h4,7H,3,5-6H2,1-2H3,(H,18,19,22)
InChIKeyKCMFEIJDSHIZMN-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 19521878) is ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cn2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KCMFEIJDSHIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-3-24-12(23)5-9-7-25-13(18-9)19-11(22)6-21-10(14(15,16)17)4-8(2)20-21/h4,7H,3,5-6H2,1-2H3,(H,18,19,22).
What are the key properties of ethyl 2-[2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19521878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).