5-dodecan-6-yl-1,2-thiazole

C15H27NS — CID 134557589

IUPAC5-dodecan-6-yl-1,2-thiazole
SMILESCCCCCCC(CCCCC)c1ccns1
InChIInChI=1S/C15H27NS/c1-3-5-7-9-11-14(10-8-6-4-2)15-12-13-16-17-15/h12-14H,3-11H2,1-2H3
InChIKeyGFTSSVYGYYLKOL-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.78
Rot. Bonds10

About 5-dodecan-6-yl-1,2-thiazole

5-dodecan-6-yl-1,2-thiazole (PubChem CID 134557589) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 5-dodecan-6-yl-1,2-thiazole.

Molecular Properties

Compound Name5-dodecan-6-yl-1,2-thiazole
PubChem CID134557589
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name5-dodecan-6-yl-1,2-thiazole
SMILESCCCCCCC(CCCCC)c1ccns1
InChIInChI=1S/C15H27NS/c1-3-5-7-9-11-14(10-8-6-4-2)15-12-13-16-17-15/h12-14H,3-11H2,1-2H3
InChIKeyGFTSSVYGYYLKOL-UHFFFAOYSA-N
XLogP5.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.78
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

2-tetradecan-7-ylthiophene
CID 137450901
2-heptadecan-5-ylthiophene
CID 19734009
2,5-bis[5-[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005984
2,5-bis[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005982
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992
2,5-di(octan-3-yl)thiophene
CID 151127806
5-tridecan-7-yl-1,2-oxazole
CID 129119841
5-tridecan-7-yl-1H-pyrazole
CID 126625738
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene
CID 67534998
4-tetradecan-7-yl-1,2-thiazole
CID 155439564
2-tridecan-6-ylpyridine
CID 139295924

Frequently Asked Questions

What is the IUPAC name of 5-dodecan-6-yl-1,2-thiazole?
The IUPAC name of 5-dodecan-6-yl-1,2-thiazole (CID 134557589) is 5-dodecan-6-yl-1,2-thiazole.
What is the SMILES notation for 5-dodecan-6-yl-1,2-thiazole?
The canonical SMILES for 5-dodecan-6-yl-1,2-thiazole is CCCCCCC(CCCCC)c1ccns1.
What is the InChIKey of 5-dodecan-6-yl-1,2-thiazole?
The InChIKey is GFTSSVYGYYLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-3-5-7-9-11-14(10-8-6-4-2)15-12-13-16-17-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-dodecan-6-yl-1,2-thiazole?
5-dodecan-6-yl-1,2-thiazole has a molecular weight of 253.45 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecan-6-yl-1,2-thiazole is sourced from PubChem (CID 134557589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).