phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate

C24H26FN3O4S — CID 11952884

IUPACphenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C24H26FN3O4S/c25-19-12-10-18(11-13-19)15-31-16-22(29)26-14-6-2-3-7-20-17-33-23(27-20)28-24(30)32-21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,26,29)(H,27,28,30)
InChIKeyRBZUSYSYLISCAX-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.94
Rot. Bonds12

About phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate

phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 11952884) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate
PubChem CID11952884
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Namephenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C24H26FN3O4S/c25-19-12-10-18(11-13-19)15-31-16-22(29)26-14-6-2-3-7-20-17-33-23(27-20)28-24(30)32-21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,26,29)(H,27,28,30)
InChIKeyRBZUSYSYLISCAX-UHFFFAOYSA-N
XLogP4.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate (CID 11952884) is phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is RBZUSYSYLISCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c25-19-12-10-18(11-13-19)15-31-16-22(29)26-14-6-2-3-7-20-17-33-23(27-20)28-24(30)32-21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,26,29)(H,27,28,30).
What are the key properties of phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 471.55 g/mol, XLogP of 4.94, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 11952884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).