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

C17H24N4O3S2 — CID 71468525

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)s1
InChIInChI=1S/C17H24N4O3S2/c1-10(2)8-12-14(15(23)18-7-5-4-6-13(22)21-24)20-17(26-12)16-19-9-11(3)25-16/h9-10,24H,4-8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyNTOLSOPHGXYKRZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.18
Rot. Bonds9

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

N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468525) 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-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468525
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)s1
InChIInChI=1S/C17H24N4O3S2/c1-10(2)8-12-14(15(23)18-7-5-4-6-13(22)21-24)20-17(26-12)16-19-9-11(3)25-16/h9-10,24H,4-8H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyNTOLSOPHGXYKRZ-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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Related Compounds

Bisthianostat
CID 71468161
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
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 91938063
5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 126582839
5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 126582841
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(7,7,7-trifluoro-6-oxoheptyl)-1,3-thiazole-4-carboxamide
CID 126582907

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468525) is N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)s1.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NTOLSOPHGXYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-10(2)8-12-14(15(23)18-7-5-4-6-13(22)21-24)20-17(26-12)16-19-9-11(3)25-16/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-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-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-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).