N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide

C17H21N3O4S — CID 53317243

IUPACN'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2cccc(O)c2)cs1)NO
InChIInChI=1S/C17H21N3O4S/c21-13-7-5-6-12(10-13)14-11-25-17(18-14)19-15(22)8-3-1-2-4-9-16(23)20-24/h5-7,10-11,21,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
InChIKeyCQBLOVHFAVBGKS-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.30
Rot. Bonds9

About N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide

N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide (PubChem CID 53317243) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide
PubChem CID53317243
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide
SMILESO=C(CCCCCCC(=O)Nc1nc(-c2cccc(O)c2)cs1)NO
InChIInChI=1S/C17H21N3O4S/c21-13-7-5-6-12(10-13)14-11-25-17(18-14)19-15(22)8-3-1-2-4-9-16(23)20-24/h5-7,10-11,21,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
InChIKeyCQBLOVHFAVBGKS-UHFFFAOYSA-N
XLogP3.30
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4458112
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4673629
3-(2-(4-Hydroxyphenylamino)thiazol-4-yl)phenol
CID 46865782
N'-hydroxy-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]octanediamide
CID 53326877
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155546251
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 71543106
N-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 122144039
US11453663, Preparative Example 130
CID 146190033
US11453663, Preparative Example 141
CID 146190067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide (CID 53317243) is N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide is O=C(CCCCCCC(=O)Nc1nc(-c2cccc(O)c2)cs1)NO.
What is the InChIKey of N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide?
The InChIKey is CQBLOVHFAVBGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-13-7-5-6-12(10-13)14-11-25-17(18-14)19-15(22)8-3-1-2-4-9-16(23)20-24/h5-7,10-11,21,24H,1-4,8-9H2,(H,20,23)(H,18,19,22).
What are the key properties of N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide?
N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide has a molecular weight of 363.44 g/mol, XLogP of 3.30, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]octanediamide is sourced from PubChem (CID 53317243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).