N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide

C25H27FN4O2S — CID 10253984

IUPACN-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C25H27FN4O2S/c1-29(25(31)24-20-6-2-3-7-22(20)33-28-24)12-4-5-13-30-14-10-17(11-15-30)23-19-9-8-18(26)16-21(19)32-27-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3
InChIKeyRRJGHQGFXIURME-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.31
Rot. Bonds7

About N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide

N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 10253984) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID10253984
Molecular FormulaC25H27FN4O2S
Molecular Weight466.58 g/mol
Exact Mass466.18
IUPAC NameN-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCN(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12
InChIInChI=1S/C25H27FN4O2S/c1-29(25(31)24-20-6-2-3-7-22(20)33-28-24)12-4-5-13-30-14-10-17(11-15-30)23-19-9-8-18(26)16-21(19)32-27-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3
InChIKeyRRJGHQGFXIURME-UHFFFAOYSA-N
XLogP5.31
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide 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 N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide (CID 10253984) is N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide is CN(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)C(=O)c1nsc2ccccc12.
What is the InChIKey of N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is RRJGHQGFXIURME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2S/c1-29(25(31)24-20-6-2-3-7-22(20)33-28-24)12-4-5-13-30-14-10-17(11-15-30)23-19-9-8-18(26)16-21(19)32-27-23/h2-3,6-9,16-17H,4-5,10-15H2,1H3.
What are the key properties of N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide?
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 10253984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).