ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C16H15F2N5O3S — CID 19416290

IUPACethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)n1
InChIInChI=1S/C16H15F2N5O3S/c1-3-26-12(24)5-9-7-27-16(21-9)22-15(25)10-6-19-23-11(13(17)18)4-8(2)20-14(10)23/h4,6-7,13H,3,5H2,1-2H3,(H,21,22,25)
InChIKeyUYXQQPPCQDPSMC-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19416290) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID19416290
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC Nameethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)n1
InChIInChI=1S/C16H15F2N5O3S/c1-3-26-12(24)5-9-7-27-16(21-9)22-15(25)10-6-19-23-11(13(17)18)4-8(2)20-14(10)23/h4,6-7,13H,3,5H2,1-2H3,(H,21,22,25)
InChIKeyUYXQQPPCQDPSMC-UHFFFAOYSA-N
XLogP2.79
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 19416290) is ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)n1.
What is the InChIKey of ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is UYXQQPPCQDPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-3-26-12(24)5-9-7-27-16(21-9)22-15(25)10-6-19-23-11(13(17)18)4-8(2)20-14(10)23/h4,6-7,13H,3,5H2,1-2H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 395.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19416290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).