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

C19H20F3N3O2S — CID 53149343

IUPACN-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H20F3N3O2S/c1-12(26)23-10-16-11-28-17(24-16)13-6-8-25(9-7-13)18(27)14-2-4-15(5-3-14)19(20,21)22/h2-5,11,13H,6-10H2,1H3,(H,23,26)
InChIKeyLSBJUDJBYUSINO-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.82
Rot. Bonds4

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

N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149343) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149343
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H20F3N3O2S/c1-12(26)23-10-16-11-28-17(24-16)13-6-8-25(9-7-13)18(27)14-2-4-15(5-3-14)19(20,21)22/h2-5,11,13H,6-10H2,1H3,(H,23,26)
InChIKeyLSBJUDJBYUSINO-UHFFFAOYSA-N
XLogP3.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 53149343) is N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is LSBJUDJBYUSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-12(26)23-10-16-11-28-17(24-16)13-6-8-25(9-7-13)18(27)14-2-4-15(5-3-14)19(20,21)22/h2-5,11,13H,6-10H2,1H3,(H,23,26).
What are the key properties of N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 411.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).