N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C19H28N4O3S2 — CID 71468054

IUPACN-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCCC(=O)NO
InChIInChI=1S/C19H28N4O3S2/c1-13(2)12-14-16(22-19(28-14)18-21-10-11-27-18)17(25)20-9-7-5-3-4-6-8-15(24)23-26/h10-11,13,26H,3-9,12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyZESWGGXOLXHHNG-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.04
Rot. Bonds12

About N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468054) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468054
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC NameN-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCCC(=O)NO
InChIInChI=1S/C19H28N4O3S2/c1-13(2)12-14-16(22-19(28-14)18-21-10-11-27-18)17(25)20-9-7-5-3-4-6-8-15(24)23-26/h10-11,13,26H,3-9,12H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyZESWGGXOLXHHNG-UHFFFAOYSA-N
XLogP4.04
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

Bisthianostat
CID 71468161
N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467959
5-ethyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467960
N-[5-(hydroxyamino)-5-oxopentyl]-5-propan-2-yl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467961
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467962
5-butyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467963
N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-3-methylbut-1-enyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468158
5-cyclohexyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468162
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-propan-2-ylcyclopropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468163
N-[5-(hydroxyamino)-5-oxopentyl]-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468164
5-benzyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468278
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 91938063

Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468054) is N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCCCCC(=O)NO.
What is the InChIKey of N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZESWGGXOLXHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-13(2)12-14-16(22-19(28-14)18-21-10-11-27-18)17(25)20-9-7-5-3-4-6-8-15(24)23-26/h10-11,13,26H,3-9,12H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.04, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(hydroxyamino)-8-oxooctyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).