N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20F3N5OS — CID 139500170

IUPACN-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C16H20F3N5OS/c1-11(25)22-15-20-6-14(26-15)10-23-4-2-3-12(7-23)8-24-9-13(5-21-24)16(17,18)19/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,22,25)
InChIKeyKMAGUCNJJLRKIC-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.23
Rot. Bonds5

About N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500170) has the molecular formula C16H20F3N5OS and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500170
Molecular FormulaC16H20F3N5OS
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC NameN-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C16H20F3N5OS/c1-11(25)22-15-20-6-14(26-15)10-23-4-2-3-12(7-23)8-24-9-13(5-21-24)16(17,18)19/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,22,25)
InChIKeyKMAGUCNJJLRKIC-UHFFFAOYSA-N
XLogP3.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500170) is N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cn3cc(C(F)(F)F)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KMAGUCNJJLRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5OS/c1-11(25)22-15-20-6-14(26-15)10-23-4-2-3-12(7-23)8-24-9-13(5-21-24)16(17,18)19/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,22,25).
What are the key properties of N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).