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

C17H19F2N7OS — CID 142415600

IUPACN-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C17H19F2N7OS/c1-10(27)23-17-20-6-12(28-17)8-25-4-2-3-11(7-25)13-5-14(15(18)19)26-16(24-13)21-9-22-26/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27)/t11-/m1/s1
InChIKeyDTIYDRQSTCALLM-LLVKDONJSA-N
MW407.45 g/mol
LogP2.86
Rot. Bonds5

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

N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415600) has the molecular formula C17H19F2N7OS and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415600
Molecular FormulaC17H19F2N7OS
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC NameN-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C17H19F2N7OS/c1-10(27)23-17-20-6-12(28-17)8-25-4-2-3-11(7-25)13-5-14(15(18)19)26-16(24-13)21-9-22-26/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27)/t11-/m1/s1
InChIKeyDTIYDRQSTCALLM-LLVKDONJSA-N
XLogP2.86
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-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-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415600) is N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DTIYDRQSTCALLM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19F2N7OS/c1-10(27)23-17-20-6-12(28-17)8-25-4-2-3-11(7-25)13-5-14(15(18)19)26-16(24-13)21-9-22-26/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27)/t11-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).