5-(5-methylundecan-5-yl)-1,2-thiazole

C15H27NS — CID 139342329

IUPAC5-(5-methylundecan-5-yl)-1,2-thiazole
SMILESCCCCCCC(C)(CCCC)c1ccns1
InChIInChI=1S/C15H27NS/c1-4-6-8-9-12-15(3,11-7-5-2)14-10-13-16-17-14/h10,13H,4-9,11-12H2,1-3H3
InChIKeyPZLODKNPOVEOCN-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.56
Rot. Bonds9

About 5-(5-methylundecan-5-yl)-1,2-thiazole

5-(5-methylundecan-5-yl)-1,2-thiazole (PubChem CID 139342329) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 5-(5-methylundecan-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(5-methylundecan-5-yl)-1,2-thiazole
PubChem CID139342329
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name5-(5-methylundecan-5-yl)-1,2-thiazole
SMILESCCCCCCC(C)(CCCC)c1ccns1
InChIInChI=1S/C15H27NS/c1-4-6-8-9-12-15(3,11-7-5-2)14-10-13-16-17-14/h10,13H,4-9,11-12H2,1-3H3
InChIKeyPZLODKNPOVEOCN-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.56
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-(5-methylundecan-5-yl)-1,2-thiazole?
The IUPAC name of 5-(5-methylundecan-5-yl)-1,2-thiazole (CID 139342329) is 5-(5-methylundecan-5-yl)-1,2-thiazole.
What is the SMILES notation for 5-(5-methylundecan-5-yl)-1,2-thiazole?
The canonical SMILES for 5-(5-methylundecan-5-yl)-1,2-thiazole is CCCCCCC(C)(CCCC)c1ccns1.
What is the InChIKey of 5-(5-methylundecan-5-yl)-1,2-thiazole?
The InChIKey is PZLODKNPOVEOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-4-6-8-9-12-15(3,11-7-5-2)14-10-13-16-17-14/h10,13H,4-9,11-12H2,1-3H3.
What are the key properties of 5-(5-methylundecan-5-yl)-1,2-thiazole?
5-(5-methylundecan-5-yl)-1,2-thiazole has a molecular weight of 253.45 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylundecan-5-yl)-1,2-thiazole is sourced from PubChem (CID 139342329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).