5-bromo-2-undecyl-1,3-thiazole

C14H24BrNS — CID 147585581

IUPAC5-bromo-2-undecyl-1,3-thiazole
SMILESCCCCCCCCCCCc1ncc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(15)17-14/h12H,2-11H2,1H3
InChIKeyFXGOKRZHOVVJKM-UHFFFAOYSA-N
MW318.32 g/mol
LogP5.98
Rot. Bonds10

About 5-bromo-2-undecyl-1,3-thiazole

5-bromo-2-undecyl-1,3-thiazole (PubChem CID 147585581) has the molecular formula C14H24BrNS and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-bromo-2-undecyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-undecyl-1,3-thiazole
PubChem CID147585581
Molecular FormulaC14H24BrNS
Molecular Weight318.32 g/mol
Exact Mass317.08
IUPAC Name5-bromo-2-undecyl-1,3-thiazole
SMILESCCCCCCCCCCCc1ncc(Br)s1
InChIInChI=1S/C14H24BrNS/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(15)17-14/h12H,2-11H2,1H3
InChIKeyFXGOKRZHOVVJKM-UHFFFAOYSA-N
XLogP5.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.32
LogP ≤ 55.98
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-hexyl-5-methyl-1,3-thiazole
CID 91750864
5-bromo-2-(3-bromopropyl)-1,3-thiazole
CID 165443494
2-pentyl-1,3-thiazole-5-carbaldehyde
CID 139349379
2-bromo-5-nonyl-1,3,4-thiadiazole
CID 65426621
5-[3,7-dichloro-6-(2-undecyl-1,3-thiazol-5-yl)naphthalen-2-yl]-2-undecyl-1,3-thiazole
CID 153254544
5-bromo-2-hexylpyrimidine
CID 122446219
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
CID 23354778
2,5-dibromo-3,4-didecylthiophene
CID 59856343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-undecyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-undecyl-1,3-thiazole (CID 147585581) is 5-bromo-2-undecyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-undecyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-undecyl-1,3-thiazole is CCCCCCCCCCCc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-undecyl-1,3-thiazole?
The InChIKey is FXGOKRZHOVVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNS/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(15)17-14/h12H,2-11H2,1H3.
What are the key properties of 5-bromo-2-undecyl-1,3-thiazole?
5-bromo-2-undecyl-1,3-thiazole has a molecular weight of 318.32 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-undecyl-1,3-thiazole is sourced from PubChem (CID 147585581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).