N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide

C21H26N4O3S2 — CID 123768962

IUPACN-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide
SMILESO=C(CCCCNCc1nc(-c2nccs2)sc1CCOCc1ccccc1)NO
InChIInChI=1S/C21H26N4O3S2/c26-19(25-27)8-4-5-10-22-14-17-18(30-21(24-17)20-23-11-13-29-20)9-12-28-15-16-6-2-1-3-7-16/h1-3,6-7,11,13,22,27H,4-5,8-10,12,14-15H2,(H,25,26)
InChIKeyLLMKDBALDGROFU-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.79
Rot. Bonds13

About N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide

N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide (PubChem CID 123768962) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide
PubChem CID123768962
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide
SMILESO=C(CCCCNCc1nc(-c2nccs2)sc1CCOCc1ccccc1)NO
InChIInChI=1S/C21H26N4O3S2/c26-19(25-27)8-4-5-10-22-14-17-18(30-21(24-17)20-23-11-13-29-20)9-12-28-15-16-6-2-1-3-7-16/h1-3,6-7,11,13,22,27H,4-5,8-10,12,14-15H2,(H,25,26)
InChIKeyLLMKDBALDGROFU-UHFFFAOYSA-N
XLogP3.79
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide?
The IUPAC name of N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide (CID 123768962) is N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide.
What is the SMILES notation for N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide?
The canonical SMILES for N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide is O=C(CCCCNCc1nc(-c2nccs2)sc1CCOCc1ccccc1)NO.
What is the InChIKey of N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide?
The InChIKey is LLMKDBALDGROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c26-19(25-27)8-4-5-10-22-14-17-18(30-21(24-17)20-23-11-13-29-20)9-12-28-15-16-6-2-1-3-7-16/h1-3,6-7,11,13,22,27H,4-5,8-10,12,14-15H2,(H,25,26).
What are the key properties of N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide?
N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide has a molecular weight of 446.60 g/mol, XLogP of 3.79, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[5-(2-phenylmethoxyethyl)-2-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methylamino]pentanamide is sourced from PubChem (CID 123768962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).