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

C14H24ClNOS — CID 107124805

IUPAC1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C14H24ClNOS/c1-2-3-4-5-6-7-8-9-10-12(17)14-16-11-13(15)18-14/h11-12,17H,2-10H2,1H3
InChIKeyTXIYKAPFOPBQGS-UHFFFAOYSA-N
MW289.87 g/mol
LogP5.36
Rot. Bonds10

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

1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol (PubChem CID 107124805) has the molecular formula C14H24ClNOS and a molecular weight of 289.87 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol
PubChem CID107124805
Molecular FormulaC14H24ClNOS
Molecular Weight289.87 g/mol
Exact Mass289.13
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1ncc(Cl)s1
InChIInChI=1S/C14H24ClNOS/c1-2-3-4-5-6-7-8-9-10-12(17)14-16-11-13(15)18-14/h11-12,17H,2-10H2,1H3
InChIKeyTXIYKAPFOPBQGS-UHFFFAOYSA-N
XLogP5.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.87
LogP ≤ 55.36
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)undecan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol (CID 107124805) is 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol is CCCCCCCCCCC(O)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol?
The InChIKey is TXIYKAPFOPBQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNOS/c1-2-3-4-5-6-7-8-9-10-12(17)14-16-11-13(15)18-14/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)undecan-1-ol has a molecular weight of 289.87 g/mol, XLogP of 5.36, 10 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)undecan-1-ol is sourced from PubChem (CID 107124805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).