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

C16H29NS — CID 134379778

IUPAC5-tridecan-6-yl-1,2-thiazole
SMILESCCCCCCCC(CCCCC)c1ccns1
InChIInChI=1S/C16H29NS/c1-3-5-7-8-10-12-15(11-9-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3
InChIKeyCQXVWRDLZYTJTL-UHFFFAOYSA-N
MW267.48 g/mol
LogP6.17
Rot. Bonds11

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

5-tridecan-6-yl-1,2-thiazole (PubChem CID 134379778) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 5-tridecan-6-yl-1,2-thiazole.

Molecular Properties

Compound Name5-tridecan-6-yl-1,2-thiazole
PubChem CID134379778
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name5-tridecan-6-yl-1,2-thiazole
SMILESCCCCCCCC(CCCCC)c1ccns1
InChIInChI=1S/C16H29NS/c1-3-5-7-8-10-12-15(11-9-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3
InChIKeyCQXVWRDLZYTJTL-UHFFFAOYSA-N
XLogP6.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of 5-tridecan-6-yl-1,2-thiazole?
The IUPAC name of 5-tridecan-6-yl-1,2-thiazole (CID 134379778) is 5-tridecan-6-yl-1,2-thiazole.
What is the SMILES notation for 5-tridecan-6-yl-1,2-thiazole?
The canonical SMILES for 5-tridecan-6-yl-1,2-thiazole is CCCCCCCC(CCCCC)c1ccns1.
What is the InChIKey of 5-tridecan-6-yl-1,2-thiazole?
The InChIKey is CQXVWRDLZYTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-3-5-7-8-10-12-15(11-9-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-tridecan-6-yl-1,2-thiazole?
5-tridecan-6-yl-1,2-thiazole has a molecular weight of 267.48 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridecan-6-yl-1,2-thiazole is sourced from PubChem (CID 134379778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).