6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol

C19H21NOS — CID 54360621

IUPAC6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol
SMILESCCCCCCc1ncc(-c2ccc3cc(O)ccc3c2)s1
InChIInChI=1S/C19H21NOS/c1-2-3-4-5-6-19-20-13-18(22-19)16-8-7-15-12-17(21)10-9-14(15)11-16/h7-13,21H,2-6H2,1H3
InChIKeyUMFMXRRFSGULCK-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.79
Rot. Bonds6

About 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol

6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol (PubChem CID 54360621) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol
PubChem CID54360621
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol
SMILESCCCCCCc1ncc(-c2ccc3cc(O)ccc3c2)s1
InChIInChI=1S/C19H21NOS/c1-2-3-4-5-6-19-20-13-18(22-19)16-8-7-15-12-17(21)10-9-14(15)11-16/h7-13,21H,2-6H2,1H3
InChIKeyUMFMXRRFSGULCK-UHFFFAOYSA-N
XLogP5.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol?
The IUPAC name of 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol (CID 54360621) is 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol?
The canonical SMILES for 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol is CCCCCCc1ncc(-c2ccc3cc(O)ccc3c2)s1.
What is the InChIKey of 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol?
The InChIKey is UMFMXRRFSGULCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-2-3-4-5-6-19-20-13-18(22-19)16-8-7-15-12-17(21)10-9-14(15)11-16/h7-13,21H,2-6H2,1H3.
What are the key properties of 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol?
6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol has a molecular weight of 311.45 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hexyl-1,3-thiazol-5-yl)naphthalen-2-ol is sourced from PubChem (CID 54360621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).