3-undecan-5-yl-1,2-thiazole

C14H25NS — CID 146406954

IUPAC3-undecan-5-yl-1,2-thiazole
SMILESCCCCCCC(CCCC)c1ccsn1
InChIInChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-16-15-14/h11-13H,3-10H2,1-2H3
InChIKeyIEKZQICLMMMTBJ-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.39
Rot. Bonds9

About 3-undecan-5-yl-1,2-thiazole

3-undecan-5-yl-1,2-thiazole (PubChem CID 146406954) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-undecan-5-yl-1,2-thiazole.

Molecular Properties

Compound Name3-undecan-5-yl-1,2-thiazole
PubChem CID146406954
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-undecan-5-yl-1,2-thiazole
SMILESCCCCCCC(CCCC)c1ccsn1
InChIInChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-16-15-14/h11-13H,3-10H2,1-2H3
InChIKeyIEKZQICLMMMTBJ-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-thiazol-3-yl)octylindigane
CID 173228993
3-pentan-3-yl-1,2-thiazole
CID 170381206
2-heptadecan-5-ylthiophene
CID 19734009
2-tridecan-6-ylpyridine
CID 139295924
2-methyl-6-tetradecan-7-ylpyridazin-3-one
CID 167050006
2-tetradecan-7-ylthiophene
CID 137450901
4-undecan-5-yl-1,2-thiazole
CID 146406991
2-decan-4-ylpyridine
CID 67882797
4-dodecan-5-yl-1-methylimidazole
CID 138655717
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
4-tetradecan-7-yl-1,2-thiazole
CID 155439564

Frequently Asked Questions

What is the IUPAC name of 3-undecan-5-yl-1,2-thiazole?
The IUPAC name of 3-undecan-5-yl-1,2-thiazole (CID 146406954) is 3-undecan-5-yl-1,2-thiazole.
What is the SMILES notation for 3-undecan-5-yl-1,2-thiazole?
The canonical SMILES for 3-undecan-5-yl-1,2-thiazole is CCCCCCC(CCCC)c1ccsn1.
What is the InChIKey of 3-undecan-5-yl-1,2-thiazole?
The InChIKey is IEKZQICLMMMTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-5-7-8-10-13(9-6-4-2)14-11-12-16-15-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-undecan-5-yl-1,2-thiazole?
3-undecan-5-yl-1,2-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-5-yl-1,2-thiazole is sourced from PubChem (CID 146406954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).