N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

C17H22N4O3S — CID 25032253

IUPACN-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESNc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1
InChIInChI=1S/C17H22N4O3S/c18-13-8-6-5-7-12(13)14-11-25-17(19-14)20-15(22)9-3-1-2-4-10-16(23)21-24/h5-8,11,24H,1-4,9-10,18H2,(H,21,23)(H,19,20,22)
InChIKeyYBFHKLAOPFPEMM-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.18
Rot. Bonds9

About N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide

N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (PubChem CID 25032253) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
PubChem CID25032253
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC NameN-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
SMILESNc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1
InChIInChI=1S/C17H22N4O3S/c18-13-8-6-5-7-12(13)14-11-25-17(19-14)20-15(22)9-3-1-2-4-10-16(23)21-24/h5-8,11,24H,1-4,9-10,18H2,(H,21,23)(H,19,20,22)
InChIKeyYBFHKLAOPFPEMM-UHFFFAOYSA-N
XLogP3.18
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide (CID 25032253) is N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is Nc1ccccc1-c1csc(NC(=O)CCCCCCC(=O)NO)n1.
What is the InChIKey of N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
The InChIKey is YBFHKLAOPFPEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-13-8-6-5-7-12(13)14-11-25-17(19-14)20-15(22)9-3-1-2-4-10-16(23)21-24/h5-8,11,24H,1-4,9-10,18H2,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide?
N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide has a molecular weight of 362.45 g/mol, XLogP of 3.18, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminophenyl)-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 25032253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).