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

C18H19ClFN3O2S — CID 71842255

IUPACN-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C18H19ClFN3O2S/c1-11(24)21-9-14-10-26-17(22-14)12-4-6-23(7-5-12)18(25)13-2-3-16(20)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,24)
InChIKeyKOYDWGGXKBZUSL-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.59
Rot. Bonds4

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

N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 71842255) has the molecular formula C18H19ClFN3O2S and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID71842255
Molecular FormulaC18H19ClFN3O2S
Molecular Weight395.89 g/mol
Exact Mass395.09
IUPAC NameN-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1
InChIInChI=1S/C18H19ClFN3O2S/c1-11(24)21-9-14-10-26-17(22-14)12-4-6-23(7-5-12)18(25)13-2-3-16(20)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,24)
InChIKeyKOYDWGGXKBZUSL-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 71842255) is N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1.
What is the InChIKey of N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is KOYDWGGXKBZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2S/c1-11(24)21-9-14-10-26-17(22-14)12-4-6-23(7-5-12)18(25)13-2-3-16(20)15(19)8-13/h2-3,8,10,12H,4-7,9H2,1H3,(H,21,24).
What are the key properties of N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 71842255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).