N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid

C25H33F3N4O4S — CID 155143270

IUPACN-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ncc(C2CC2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N4O2S.C2HF3O2/c1-16-24-15-22(30-16)20-13-21(20)25-14-18-8-11-27(12-9-18)10-2-3-17-4-6-19(7-5-17)23(28)26-29;3-2(4,5)1(6)7/h4-7,15,18,20-21,25,29H,2-3,8-14H2,1H3,(H,26,28);(H,6,7)
InChIKeyCEQFFPQOHOJVIO-UHFFFAOYSA-N
MW542.62 g/mol
LogP3.99
Rot. Bonds9

About N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid

N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 155143270) has the molecular formula C25H33F3N4O4S and a molecular weight of 542.62 g/mol. Its IUPAC name is N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID155143270
Molecular FormulaC25H33F3N4O4S
Molecular Weight542.62 g/mol
Exact Mass542.22
IUPAC NameN-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
SMILESCc1ncc(C2CC2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N4O2S.C2HF3O2/c1-16-24-15-22(30-16)20-13-21(20)25-14-18-8-11-27(12-9-18)10-2-3-17-4-6-19(7-5-17)23(28)26-29;3-2(4,5)1(6)7/h4-7,15,18,20-21,25,29H,2-3,8-14H2,1H3,(H,26,28);(H,6,7)
InChIKeyCEQFFPQOHOJVIO-UHFFFAOYSA-N
XLogP3.99
TPSA114.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.62
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid 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-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid (CID 155143270) is N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid is Cc1ncc(C2CC2NCC2CCN(CCCc3ccc(C(=O)NO)cc3)CC2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is CEQFFPQOHOJVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S.C2HF3O2/c1-16-24-15-22(30-16)20-13-21(20)25-14-18-8-11-27(12-9-18)10-2-3-17-4-6-19(7-5-17)23(28)26-29;3-2(4,5)1(6)7/h4-7,15,18,20-21,25,29H,2-3,8-14H2,1H3,(H,26,28);(H,6,7).
What are the key properties of N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid?
N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 542.62 g/mol, XLogP of 3.99, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[4-[[[2-(2-methyl-1,3-thiazol-5-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155143270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).