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

C18H20F3N7OS — CID 142415606

IUPACN-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](c3cc(C)nc4ncnn34)C[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C18H20F3N7OS/c1-10-3-15(28-16(25-10)23-9-24-28)12-4-13(18(19,20)21)7-27(6-12)8-14-5-22-17(30-14)26-11(2)29/h3,5,9,12-13H,4,6-8H2,1-2H3,(H,22,26,29)/t12-,13+/m0/s1
InChIKeyJPABIBIWVIKYAQ-QWHCGFSZSA-N
MW439.47 g/mol
LogP3.02
Rot. Bonds4

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

N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415606) has the molecular formula C18H20F3N7OS and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415606
Molecular FormulaC18H20F3N7OS
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC NameN-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@@H](c3cc(C)nc4ncnn34)C[C@@H](C(F)(F)F)C2)s1
InChIInChI=1S/C18H20F3N7OS/c1-10-3-15(28-16(25-10)23-9-24-28)12-4-13(18(19,20)21)7-27(6-12)8-14-5-22-17(30-14)26-11(2)29/h3,5,9,12-13H,4,6-8H2,1-2H3,(H,22,26,29)/t12-,13+/m0/s1
InChIKeyJPABIBIWVIKYAQ-QWHCGFSZSA-N
XLogP3.02
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)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]pyrimidin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377657
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
[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 139482377
(2-bromo-1,3-thiazol-5-yl)-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
CID 139482384

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415606) is N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@@H](c3cc(C)nc4ncnn34)C[C@@H](C(F)(F)F)C2)s1.
What is the InChIKey of N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JPABIBIWVIKYAQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20F3N7OS/c1-10-3-15(28-16(25-10)23-9-24-28)12-4-13(18(19,20)21)7-27(6-12)8-14-5-22-17(30-14)26-11(2)29/h3,5,9,12-13H,4,6-8H2,1-2H3,(H,22,26,29)/t12-,13+/m0/s1.
What are the key properties of N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).