5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol

C8H12BrNOS — CID 86191561

IUPAC5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
SMILESOCCCCCc1nc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c9-7-6-12-8(10-7)4-2-1-3-5-11/h6,11H,1-5H2
InChIKeyHXOLNHXXJDMHBU-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.61
Rot. Bonds5

About 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol

5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 86191561) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
PubChem CID86191561
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
SMILESOCCCCCc1nc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c9-7-6-12-8(10-7)4-2-1-3-5-11/h6,11H,1-5H2
InChIKeyHXOLNHXXJDMHBU-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol (CID 86191561) is 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol is OCCCCCc1nc(Br)cs1.
What is the InChIKey of 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is HXOLNHXXJDMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c9-7-6-12-8(10-7)4-2-1-3-5-11/h6,11H,1-5H2.
What are the key properties of 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol?
5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 250.16 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 86191561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).