1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol

C11H18ClNOS — CID 107124800

IUPAC1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-9(14)11-13-8-10(12)15-11/h8-9,14H,2-7H2,1H3
InChIKeyPLDXZSOYLFZUFI-UHFFFAOYSA-N
MW247.79 g/mol
LogP4.19
Rot. Bonds7

About 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol (PubChem CID 107124800) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol
PubChem CID107124800
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-9(14)11-13-8-10(12)15-11/h8-9,14H,2-7H2,1H3
InChIKeyPLDXZSOYLFZUFI-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 54.19
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 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol (CID 107124800) is 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol is CCCCCCCC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol?
The InChIKey is PLDXZSOYLFZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-9(14)11-13-8-10(12)15-11/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol has a molecular weight of 247.79 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)octan-1-ol is sourced from PubChem (CID 107124800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).