(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide

C26H27N5O4S2 — CID 59818327

IUPAC(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C26H27N5O4S2/c32-24(28-34)21-10-4-5-12-30(21)13-7-14-31(25(33)23-11-6-15-36-23)26-27-20(17-37-26)22-16-19(29-35-22)18-8-2-1-3-9-18/h1-3,6,8-9,11,15-17,21,34H,4-5,7,10,12-14H2,(H,28,32)/t21-/m0/s1
InChIKeyHAEIGNXGLTXKDX-NRFANRHFSA-N
MW537.67 g/mol
LogP4.92
Rot. Bonds9

About (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide

(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide (PubChem CID 59818327) has the molecular formula C26H27N5O4S2 and a molecular weight of 537.67 g/mol. Its IUPAC name is (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide
PubChem CID59818327
Molecular FormulaC26H27N5O4S2
Molecular Weight537.67 g/mol
Exact Mass537.15
IUPAC Name(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C26H27N5O4S2/c32-24(28-34)21-10-4-5-12-30(21)13-7-14-31(25(33)23-11-6-15-36-23)26-27-20(17-37-26)22-16-19(29-35-22)18-8-2-1-3-9-18/h1-3,6,8-9,11,15-17,21,34H,4-5,7,10,12-14H2,(H,28,32)/t21-/m0/s1
InChIKeyHAEIGNXGLTXKDX-NRFANRHFSA-N
XLogP4.92
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.67
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide (CID 59818327) is (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide is O=C(NO)[C@@H]1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide?
The InChIKey is HAEIGNXGLTXKDX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H27N5O4S2/c32-24(28-34)21-10-4-5-12-30(21)13-7-14-31(25(33)23-11-6-15-36-23)26-27-20(17-37-26)22-16-19(29-35-22)18-8-2-1-3-9-18/h1-3,6,8-9,11,15-17,21,34H,4-5,7,10,12-14H2,(H,28,32)/t21-/m0/s1.
What are the key properties of (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide?
(2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide has a molecular weight of 537.67 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-1-[3-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]-(thiophene-2-carbonyl)amino]propyl]piperidine-2-carboxamide is sourced from PubChem (CID 59818327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).