2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide

C19H24FN3O3S — CID 87806805

IUPAC2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide
SMILESCC(=O)Nc1nc(CCCCCc2cc(COCC(N)=O)ccc2F)cs1
InChIInChI=1S/C19H24FN3O3S/c1-13(24)22-19-23-16(12-27-19)6-4-2-3-5-15-9-14(7-8-17(15)20)10-26-11-18(21)25/h7-9,12H,2-6,10-11H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyCOJXWDXMSNRJQO-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.20
Rot. Bonds11

About 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide

2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide (PubChem CID 87806805) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide
PubChem CID87806805
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide
SMILESCC(=O)Nc1nc(CCCCCc2cc(COCC(N)=O)ccc2F)cs1
InChIInChI=1S/C19H24FN3O3S/c1-13(24)22-19-23-16(12-27-19)6-4-2-3-5-15-9-14(7-8-17(15)20)10-26-11-18(21)25/h7-9,12H,2-6,10-11H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyCOJXWDXMSNRJQO-UHFFFAOYSA-N
XLogP3.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide?
The IUPAC name of 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide (CID 87806805) is 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide.
What is the SMILES notation for 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide?
The canonical SMILES for 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide is CC(=O)Nc1nc(CCCCCc2cc(COCC(N)=O)ccc2F)cs1.
What is the InChIKey of 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide?
The InChIKey is COJXWDXMSNRJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-13(24)22-19-23-16(12-27-19)6-4-2-3-5-15-9-14(7-8-17(15)20)10-26-11-18(21)25/h7-9,12H,2-6,10-11H2,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide?
2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide has a molecular weight of 393.48 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide is sourced from PubChem (CID 87806805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).