2-(4-butoxyphenyl)-1,3-thiazole

C13H15NOS — CID 59143748

IUPAC2-(4-butoxyphenyl)-1,3-thiazole
SMILESCCCCOc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15NOS/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyZZWRGNBCUVFTCR-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.99
Rot. Bonds5

About 2-(4-butoxyphenyl)-1,3-thiazole

2-(4-butoxyphenyl)-1,3-thiazole (PubChem CID 59143748) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-1,3-thiazole
PubChem CID59143748
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(4-butoxyphenyl)-1,3-thiazole
SMILESCCCCOc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H15NOS/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3
InChIKeyZZWRGNBCUVFTCR-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-butoxyphenyl)-1,3-thiazole (CID 59143748) is 2-(4-butoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-butoxyphenyl)-1,3-thiazole is CCCCOc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-1,3-thiazole?
The InChIKey is ZZWRGNBCUVFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-3-9-15-12-6-4-11(5-7-12)13-14-8-10-16-13/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-1,3-thiazole?
2-(4-butoxyphenyl)-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 59143748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).