4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole

C29H31NO3S — CID 141010243

IUPAC4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole
SMILESCCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCc1ccc(-c2cscn2)cc1
InChIInChI=1S/C29H31NO3S/c1-3-6-24-19-27(33-26-14-12-25(31-2)13-15-26)16-17-29(24)32-18-5-4-7-22-8-10-23(11-9-22)28-20-34-21-30-28/h8-17,19-21H,3-7,18H2,1-2H3
InChIKeyOWMVMCWPSBHKEZ-UHFFFAOYSA-N
MW473.64 g/mol
LogP7.97
Rot. Bonds12

About 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole

4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole (PubChem CID 141010243) has the molecular formula C29H31NO3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole
PubChem CID141010243
Molecular FormulaC29H31NO3S
Molecular Weight473.64 g/mol
Exact Mass473.20
IUPAC Name4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole
SMILESCCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCc1ccc(-c2cscn2)cc1
InChIInChI=1S/C29H31NO3S/c1-3-6-24-19-27(33-26-14-12-25(31-2)13-15-26)16-17-29(24)32-18-5-4-7-22-8-10-23(11-9-22)28-20-34-21-30-28/h8-17,19-21H,3-7,18H2,1-2H3
InChIKeyOWMVMCWPSBHKEZ-UHFFFAOYSA-N
XLogP7.97
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[5-[4-(4-methoxyphenoxy)-2-propylphenoxy]pentyl]phenyl]-1,3-thiazolidine-2,4-dione
CID 22458901
5-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 22458986
methyl 2-[3-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate
CID 22458910
4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine
CID 94036752
4-[4-[2-[5-(2-methylperoxyethyl)-1H-indol-2-yl]ethoxy]-3-propylphenoxy]phenol
CID 54435635
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
methyl 2-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22459062
[5-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 43267936
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole (CID 141010243) is 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole is CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCCc1ccc(-c2cscn2)cc1.
What is the InChIKey of 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole?
The InChIKey is OWMVMCWPSBHKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3S/c1-3-6-24-19-27(33-26-14-12-25(31-2)13-15-26)16-17-29(24)32-18-5-4-7-22-8-10-23(11-9-22)28-20-34-21-30-28/h8-17,19-21H,3-7,18H2,1-2H3.
What are the key properties of 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole?
4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole has a molecular weight of 473.64 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-methoxyphenoxy)-2-propylphenoxy]butyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 141010243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).