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

C17H19F2N7OS — CID 142415558

IUPACN-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C17H19F2N7OS/c1-10(27)23-17-20-6-12(28-17)8-25-4-2-3-11(7-25)14-5-13(15(18)19)24-16-21-9-22-26(14)16/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27)
InChIKeyVTODHFSOPCVMNW-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.86
Rot. Bonds5

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

N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415558) has the molecular formula C17H19F2N7OS and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415558
Molecular FormulaC17H19F2N7OS
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC NameN-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C17H19F2N7OS/c1-10(27)23-17-20-6-12(28-17)8-25-4-2-3-11(7-25)14-5-13(15(18)19)24-16-21-9-22-26(14)16/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27)
InChIKeyVTODHFSOPCVMNW-UHFFFAOYSA-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-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

US11186582, Example 193
CID 118471406
US11186582, Example 202
CID 118472381
US11186582, Example 201
CID 126615658
[3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110235258
N-[5-[[4-(2-pyrazolo[1,5-a]pyridin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377656
N-[5-[[4-(2-pyrazolo[1,5-a]pyrimidin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377657
1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(thiazol-2-yl)piperidine-3-carboxamide
CID 56724699
US11186582, Example 194
CID 118472481
US11186582, Example 198
CID 118479686
US11186582, Example 206
CID 126615650
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-[5-[[3-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135391

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415558) is N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)nc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VTODHFSOPCVMNW-UHFFFAOYSA-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)14-5-13(15(18)19)24-16-21-9-22-26(14)16/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,20,23,27).
What are the key properties of N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).