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

C17H24N4O3S2 — CID 71468926

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)cs1
InChIInChI=1S/C17H24N4O3S2/c1-10(2)8-13-15(16(23)18-7-5-4-6-14(22)21-24)20-17(26-13)12-9-25-11(3)19-12/h9-10,24H,4-8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyAXXQWAZGKIBMHW-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.18
Rot. Bonds9

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

N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468926) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468926
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)cs1
InChIInChI=1S/C17H24N4O3S2/c1-10(2)8-13-15(16(23)18-7-5-4-6-14(22)21-24)20-17(26-13)12-9-25-11(3)19-12/h9-10,24H,4-8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyAXXQWAZGKIBMHW-UHFFFAOYSA-N
XLogP3.18
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71468926) is N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)cs1.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AXXQWAZGKIBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-10(2)8-13-15(16(23)18-7-5-4-6-14(22)21-24)20-17(26-13)12-9-25-11(3)19-12/h9-10,24H,4-8H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.18, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).