5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole

C29H41NOS — CID 23354778

IUPAC5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
SMILESCCCCCCCCCCOc1ccc2cc(-c3cnc(CCCCCC)s3)ccc2c1
InChIInChI=1S/C29H41NOS/c1-3-5-7-9-10-11-12-14-20-31-27-19-18-24-21-26(17-16-25(24)22-27)28-23-30-29(32-28)15-13-8-6-4-2/h16-19,21-23H,3-15,20H2,1-2H3
InChIKeyFOJWWDAFHYQNGY-UHFFFAOYSA-N
MW451.72 g/mol
LogP9.61
Rot. Bonds16

About 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole

5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole (PubChem CID 23354778) has the molecular formula C29H41NOS and a molecular weight of 451.72 g/mol. Its IUPAC name is 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole.

Molecular Properties

Compound Name5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
PubChem CID23354778
Molecular FormulaC29H41NOS
Molecular Weight451.72 g/mol
Exact Mass451.29
IUPAC Name5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
SMILESCCCCCCCCCCOc1ccc2cc(-c3cnc(CCCCCC)s3)ccc2c1
InChIInChI=1S/C29H41NOS/c1-3-5-7-9-10-11-12-14-20-31-27-19-18-24-21-26(17-16-25(24)22-27)28-23-30-29(32-28)15-13-8-6-4-2/h16-19,21-23H,3-15,20H2,1-2H3
InChIKeyFOJWWDAFHYQNGY-UHFFFAOYSA-N
XLogP9.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.72
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-yl]oxypropyl-trimethylsilane
CID 139606653
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CID 19375365
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 101113264
5-bromo-2-(6-decoxynaphthalen-2-yl)pyrimidine
CID 139665367
6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
CID 122228076
2-(6-butoxynaphthalen-2-yl)-5-chlorothiophene
CID 139902358
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
2-(4-decoxyphenyl)-5-hexyl-1,3,4-thiadiazole
CID 18997761
2-(4-decoxyphenyl)-5-pentyl-1,3,4-thiadiazole
CID 18997783
2-(4-decoxyphenyl)-5-octyl-1,3,4-thiadiazole
CID 56978549

Frequently Asked Questions

What is the IUPAC name of 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole?
The IUPAC name of 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole (CID 23354778) is 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole.
What is the SMILES notation for 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole?
The canonical SMILES for 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole is CCCCCCCCCCOc1ccc2cc(-c3cnc(CCCCCC)s3)ccc2c1.
What is the InChIKey of 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole?
The InChIKey is FOJWWDAFHYQNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NOS/c1-3-5-7-9-10-11-12-14-20-31-27-19-18-24-21-26(17-16-25(24)22-27)28-23-30-29(32-28)15-13-8-6-4-2/h16-19,21-23H,3-15,20H2,1-2H3.
What are the key properties of 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole?
5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole has a molecular weight of 451.72 g/mol, XLogP of 9.61, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole is sourced from PubChem (CID 23354778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).