1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone

C17H19FN4O2S — CID 11951617

IUPAC1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-10(23)22-7-5-13(6-8-22)20-17-21-16(19)15(25-17)14(24)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8,19H2,1H3,(H,20,21)
InChIKeyBASYBTACYRGRHS-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.52
Rot. Bonds4

About 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 11951617) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID11951617
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC Name1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-10(23)22-7-5-13(6-8-22)20-17-21-16(19)15(25-17)14(24)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8,19H2,1H3,(H,20,21)
InChIKeyBASYBTACYRGRHS-UHFFFAOYSA-N
XLogP2.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone (CID 11951617) is 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)CC1.
What is the InChIKey of 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is BASYBTACYRGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-10(23)22-7-5-13(6-8-22)20-17-21-16(19)15(25-17)14(24)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8,19H2,1H3,(H,20,21).
What are the key properties of 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 11951617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).