N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide

C23H20F2N4O2S — CID 66692496

IUPACN-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1)c1cscn1
InChIInChI=1S/C23H20F2N4O2S/c24-17-1-6-20(25)16(12-17)11-15-7-9-29(10-8-15)23(31)28-19-4-2-18(3-5-19)27-22(30)21-13-32-14-26-21/h1-6,11-14H,7-10H2,(H,27,30)(H,28,31)
InChIKeyHXUOKTXVAWGZEE-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.38
Rot. Bonds4

About N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide

N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66692496) has the molecular formula C23H20F2N4O2S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66692496
Molecular FormulaC23H20F2N4O2S
Molecular Weight454.50 g/mol
Exact Mass454.13
IUPAC NameN-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1)c1cscn1
InChIInChI=1S/C23H20F2N4O2S/c24-17-1-6-20(25)16(12-17)11-15-7-9-29(10-8-15)23(31)28-19-4-2-18(3-5-19)27-22(30)21-13-32-14-26-21/h1-6,11-14H,7-10H2,(H,27,30)(H,28,31)
InChIKeyHXUOKTXVAWGZEE-UHFFFAOYSA-N
XLogP5.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-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-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide (CID 66692496) is N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1)c1cscn1.
What is the InChIKey of N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HXUOKTXVAWGZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c24-17-1-6-20(25)16(12-17)11-15-7-9-29(10-8-15)23(31)28-19-4-2-18(3-5-19)27-22(30)21-13-32-14-26-21/h1-6,11-14H,7-10H2,(H,27,30)(H,28,31).
What are the key properties of N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2,5-difluorophenyl)methylidene]piperidine-1-carbonyl]amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66692496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).