2-(2-butyl-6-methoxyphenyl)-1,3-thiazole

C14H17NOS — CID 132508297

IUPAC2-(2-butyl-6-methoxyphenyl)-1,3-thiazole
SMILESCCCCc1cccc(OC)c1-c1nccs1
InChIInChI=1S/C14H17NOS/c1-3-4-6-11-7-5-8-12(16-2)13(11)14-15-9-10-17-14/h5,7-10H,3-4,6H2,1-2H3
InChIKeyCAAXALSNEOYOLJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.16
Rot. Bonds5

About 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole

2-(2-butyl-6-methoxyphenyl)-1,3-thiazole (PubChem CID 132508297) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-butyl-6-methoxyphenyl)-1,3-thiazole
PubChem CID132508297
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(2-butyl-6-methoxyphenyl)-1,3-thiazole
SMILESCCCCc1cccc(OC)c1-c1nccs1
InChIInChI=1S/C14H17NOS/c1-3-4-6-11-7-5-8-12(16-2)13(11)14-15-9-10-17-14/h5,7-10H,3-4,6H2,1-2H3
InChIKeyCAAXALSNEOYOLJ-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
2-butyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 162445839
2-butyl-1,3-dimethoxybenzene
CID 524840
2-[(2-hydroxyphenyl)diazenyl]-4-octadecyl-3-(1,3-thiazol-2-yl)phenol
CID 137224688
1-methoxy-2-tetradecylbenzene
CID 69169530
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-heptadecyl-6-methoxyphenol
CID 10713705
2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
CID 12066004
2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
CID 13320599
dimethyl 4-(2-methoxy-6-pentadecylphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10289575
2-butyl-6-methoxyphenol;4-methoxyphenol
CID 174399923
3-butyl-2-(3,4-dimethoxyphenyl)thiophene
CID 25132177

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole (CID 132508297) is 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole is CCCCc1cccc(OC)c1-c1nccs1.
What is the InChIKey of 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole?
The InChIKey is CAAXALSNEOYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-4-6-11-7-5-8-12(16-2)13(11)14-15-9-10-17-14/h5,7-10H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole?
2-(2-butyl-6-methoxyphenyl)-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-6-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 132508297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).