1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol

C15H27NOS — CID 62798439

IUPAC1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1csc(C)n1
InChIInChI=1S/C15H27NOS/c1-3-4-5-6-7-8-9-10-15(17)11-14-12-18-13(2)16-14/h12,15,17H,3-11H2,1-2H3
InChIKeyZQRJICPHFMDBFX-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.50
Rot. Bonds10

About 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol

1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol (PubChem CID 62798439) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
PubChem CID62798439
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1csc(C)n1
InChIInChI=1S/C15H27NOS/c1-3-4-5-6-7-8-9-10-15(17)11-14-12-18-13(2)16-14/h12,15,17H,3-11H2,1-2H3
InChIKeyZQRJICPHFMDBFX-UHFFFAOYSA-N
XLogP4.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.50
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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Related Compounds

5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol (CID 62798439) is 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol is CCCCCCCCCC(O)Cc1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol?
The InChIKey is ZQRJICPHFMDBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-3-4-5-6-7-8-9-10-15(17)11-14-12-18-13(2)16-14/h12,15,17H,3-11H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol?
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol has a molecular weight of 269.45 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol is sourced from PubChem (CID 62798439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).