3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

C14H15BrN2O2S — CID 151976649

IUPAC3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1csc(CCc2ccc(Br)cc2)n1)NO
InChIInChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)
InChIKeyUBUNZHKBXQMNHO-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.13
Rot. Bonds6

About 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (PubChem CID 151976649) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
PubChem CID151976649
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1csc(CCc2ccc(Br)cc2)n1)NO
InChIInChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18)
InChIKeyUBUNZHKBXQMNHO-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (CID 151976649) is 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is O=C(CCc1csc(CCc2ccc(Br)cc2)n1)NO.
What is the InChIKey of 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The InChIKey is UBUNZHKBXQMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(H,17,18).
What are the key properties of 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide has a molecular weight of 355.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-bromophenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 151976649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).