N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H17F2N7O2S — CID 142415513

IUPACN-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCOC(c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C16H17F2N7O2S/c1-9(26)22-16-19-5-10(28-16)6-24-2-3-27-13(7-24)11-4-12(14(17)18)25-15(23-11)20-8-21-25/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,19,22,26)
InChIKeyUXOBFNMAAQYIOB-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.05
Rot. Bonds5

About N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415513) has the molecular formula C16H17F2N7O2S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415513
Molecular FormulaC16H17F2N7O2S
Molecular Weight409.42 g/mol
Exact Mass409.11
IUPAC NameN-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCOC(c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C16H17F2N7O2S/c1-9(26)22-16-19-5-10(28-16)6-24-2-3-27-13(7-24)11-4-12(14(17)18)25-15(23-11)20-8-21-25/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,19,22,26)
InChIKeyUXOBFNMAAQYIOB-UHFFFAOYSA-N
XLogP2.05
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415513) is N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCOC(c3cc(C(F)F)n4ncnc4n3)C2)s1.
What is the InChIKey of N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UXOBFNMAAQYIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N7O2S/c1-9(26)22-16-19-5-10(28-16)6-24-2-3-27-13(7-24)11-4-12(14(17)18)25-15(23-11)20-8-21-25/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,19,22,26).
What are the key properties of N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).