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

C24H27FN4O3S — CID 87930818

IUPAC2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C24H27FN4O3S/c25-19-12-10-18(11-13-19)15-32-16-22(30)26-14-6-2-5-9-21-17-33-24(28-21)29-23(31)27-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17H,2,5-6,9,14-16H2,(H,26,30)(H2,27,28,29,31)
InChIKeyBIXGLBSNONRZNC-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.97
Rot. Bonds12

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

2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (PubChem CID 87930818) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
PubChem CID87930818
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C24H27FN4O3S/c25-19-12-10-18(11-13-19)15-32-16-22(30)26-14-6-2-5-9-21-17-33-24(28-21)29-23(31)27-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17H,2,5-6,9,14-16H2,(H,26,30)(H2,27,28,29,31)
InChIKeyBIXGLBSNONRZNC-UHFFFAOYSA-N
XLogP4.97
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.97
H-Bond Donors ≤ 53
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-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (CID 87930818) is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The InChIKey is BIXGLBSNONRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c25-19-12-10-18(11-13-19)15-32-16-22(30)26-14-6-2-5-9-21-17-33-24(28-21)29-23(31)27-20-7-3-1-4-8-20/h1,3-4,7-8,10-13,17H,2,5-6,9,14-16H2,(H,26,30)(H2,27,28,29,31).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 4.97, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is sourced from PubChem (CID 87930818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).