2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole

C16H27Br2NS — CID 146379588

IUPAC2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCCCC)c1sc(Br)nc1Br
InChIInChI=1S/C16H27Br2NS/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3
InChIKeyPNBKBZOGYOURSL-UHFFFAOYSA-N
MW425.27 g/mol
LogP7.48
Rot. Bonds10

About 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole

2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole (PubChem CID 146379588) has the molecular formula C16H27Br2NS and a molecular weight of 425.27 g/mol. Its IUPAC name is 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
PubChem CID146379588
Molecular FormulaC16H27Br2NS
Molecular Weight425.27 g/mol
Exact Mass423.02
IUPAC Name2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
SMILESCCCCCCC(C)(CCCCC)c1sc(Br)nc1Br
InChIInChI=1S/C16H27Br2NS/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3
InChIKeyPNBKBZOGYOURSL-UHFFFAOYSA-N
XLogP7.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 57.48
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-bromo-4-iodo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379768
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
3-bromo-4-iodo-2-(6-methyldodecan-6-yl)thiophene
CID 146379342
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
nonane-1,1,1-triamine
CID 18954154
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921
3,4,5-tribromo-1-(5-methyldodecan-5-yl)pyrazole
CID 146378900
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole?
The IUPAC name of 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole (CID 146379588) is 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole is CCCCCCC(C)(CCCCC)c1sc(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole?
The InChIKey is PNBKBZOGYOURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Br2NS/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)19-15(18)20-13/h4-12H2,1-3H3.
What are the key properties of 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole?
2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole has a molecular weight of 425.27 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole is sourced from PubChem (CID 146379588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).