2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C19H24FN3O3S — CID 155991207

IUPAC2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCCC(O)(COc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN3O3S/c1-14-11-21-18(27-14)22-17(24)12-23-9-2-7-19(25,8-10-23)13-26-16-5-3-15(20)4-6-16/h3-6,11,25H,2,7-10,12-13H2,1H3,(H,21,22,24)
InChIKeyJPYDTOUZPBENBR-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.83
Rot. Bonds6

About 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 155991207) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID155991207
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCCC(O)(COc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN3O3S/c1-14-11-21-18(27-14)22-17(24)12-23-9-2-7-19(25,8-10-23)13-26-16-5-3-15(20)4-6-16/h3-6,11,25H,2,7-10,12-13H2,1H3,(H,21,22,24)
InChIKeyJPYDTOUZPBENBR-UHFFFAOYSA-N
XLogP2.83
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide 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 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 155991207) is 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN2CCCC(O)(COc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JPYDTOUZPBENBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-14-11-21-18(27-14)22-17(24)12-23-9-2-7-19(25,8-10-23)13-26-16-5-3-15(20)4-6-16/h3-6,11,25H,2,7-10,12-13H2,1H3,(H,21,22,24).
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155991207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).