5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide

C15H17BrN2O2S — CID 87650805

IUPAC5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide
SMILESCC(CCC(C(=O)NO)c1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10(11-3-5-12(16)6-4-11)2-7-13(14(19)18-20)15-17-8-9-21-15/h3-6,8-10,13,20H,2,7H2,1H3,(H,18,19)
InChIKeyIAQQDVIEXIVQHJ-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.08
Rot. Bonds6

About 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide

5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide (PubChem CID 87650805) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide
PubChem CID87650805
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide
SMILESCC(CCC(C(=O)NO)c1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10(11-3-5-12(16)6-4-11)2-7-13(14(19)18-20)15-17-8-9-21-15/h3-6,8-10,13,20H,2,7H2,1H3,(H,18,19)
InChIKeyIAQQDVIEXIVQHJ-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
(2S)-2-[[(S)-(4-bromophenyl)-(1,3-thiazol-2-yl)methyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 59715490
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
4-[4-[1-(1,3-thiazol-2-yl)propylamino]butan-2-yl]aniline
CID 104501708
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
CID 110313528

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide (CID 87650805) is 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide is CC(CCC(C(=O)NO)c1nccs1)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide?
The InChIKey is IAQQDVIEXIVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10(11-3-5-12(16)6-4-11)2-7-13(14(19)18-20)15-17-8-9-21-15/h3-6,8-10,13,20H,2,7H2,1H3,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide?
5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide has a molecular weight of 369.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-hydroxy-2-(1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 87650805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).