1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane

C25H35NOSSi — CID 139606653

IUPAC1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane
SMILESCCCCCCc1ncc(-c2ccc3cc(OC(CC)[Si](C)(C)C)ccc3c2)s1
InChIInChI=1S/C25H35NOSSi/c1-6-8-9-10-11-24-26-18-23(28-24)21-13-12-20-17-22(15-14-19(20)16-21)27-25(7-2)29(3,4)5/h12-18,25H,6-11H2,1-5H3
InChIKeyBMXDFGXUOIJZHC-UHFFFAOYSA-N
MW425.71 g/mol
LogP8.12
Rot. Bonds10

About 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane

1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane (PubChem CID 139606653) has the molecular formula C25H35NOSSi and a molecular weight of 425.71 g/mol. Its IUPAC name is 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane.

Molecular Properties

Compound Name1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane
PubChem CID139606653
Molecular FormulaC25H35NOSSi
Molecular Weight425.71 g/mol
Exact Mass425.22
IUPAC Name1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane
SMILESCCCCCCc1ncc(-c2ccc3cc(OC(CC)[Si](C)(C)C)ccc3c2)s1
InChIInChI=1S/C25H35NOSSi/c1-6-8-9-10-11-24-26-18-23(28-24)21-13-12-20-17-22(15-14-19(20)16-21)27-25(7-2)29(3,4)5/h12-18,25H,6-11H2,1-5H3
InChIKeyBMXDFGXUOIJZHC-UHFFFAOYSA-N
XLogP8.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.71
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
CID 23354778
5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole
CID 19375365
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
5-[3,7-dichloro-6-(2-undecyl-1,3-thiazol-5-yl)naphthalen-2-yl]-2-undecyl-1,3-thiazole
CID 153254544
2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 58037405
2-(6-butoxynaphthalen-2-yl)-5-chlorothiophene
CID 139902358
2-bromo-5-[6-(5-bromo-4-octylthiophen-2-yl)naphthalen-2-yl]-3-octylthiophene
CID 141251586
2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 101113264
2-hexyl-5-methyl-1,3-thiazole
CID 91750864
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
3-[4-[2-(4-hexylphenyl)-1,3-thiazol-5-yl]phenoxy]propyl-trimethylsilane
CID 19757573

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane?
The IUPAC name of 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane (CID 139606653) is 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane.
What is the SMILES notation for 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane?
The canonical SMILES for 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane is CCCCCCc1ncc(-c2ccc3cc(OC(CC)[Si](C)(C)C)ccc3c2)s1.
What is the InChIKey of 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane?
The InChIKey is BMXDFGXUOIJZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NOSSi/c1-6-8-9-10-11-24-26-18-23(28-24)21-13-12-20-17-22(15-14-19(20)16-21)27-25(7-2)29(3,4)5/h12-18,25H,6-11H2,1-5H3.
What are the key properties of 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane?
1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane has a molecular weight of 425.71 g/mol, XLogP of 8.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane is sourced from PubChem (CID 139606653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).