4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole

C16H23NOS — CID 143262506

IUPAC4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole
SMILESCCCCOc1ccc(CC2(C)CSC(C)=N2)cc1
InChIInChI=1S/C16H23NOS/c1-4-5-10-18-15-8-6-14(7-9-15)11-16(3)12-19-13(2)17-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyJJEMXWVRAYQXCG-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.33
Rot. Bonds6

About 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole

4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole (PubChem CID 143262506) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole
PubChem CID143262506
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole
SMILESCCCCOc1ccc(CC2(C)CSC(C)=N2)cc1
InChIInChI=1S/C16H23NOS/c1-4-5-10-18-15-8-6-14(7-9-15)11-16(3)12-19-13(2)17-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyJJEMXWVRAYQXCG-UHFFFAOYSA-N
XLogP4.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.33
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

1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
1,3,5-tributoxybenzene
CID 15933337
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
2-[(4-butoxyphenoxy)methyl]-2-methyloxirane
CID 88976986
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole (CID 143262506) is 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole is CCCCOc1ccc(CC2(C)CSC(C)=N2)cc1.
What is the InChIKey of 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole?
The InChIKey is JJEMXWVRAYQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-4-5-10-18-15-8-6-14(7-9-15)11-16(3)12-19-13(2)17-16/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole?
4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole has a molecular weight of 277.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butoxyphenyl)methyl]-2,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 143262506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).