5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole

C28H43NOS — CID 19375365

IUPAC5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole
SMILESCCCCCCCCCCc1ncc(-c2ccc(OCCCC3CCCCC3)cc2)s1
InChIInChI=1S/C28H43NOS/c1-2-3-4-5-6-7-8-12-17-28-29-23-27(31-28)25-18-20-26(21-19-25)30-22-13-16-24-14-10-9-11-15-24/h18-21,23-24H,2-17,22H2,1H3
InChIKeyMCEKKWATMJUENF-UHFFFAOYSA-N
MW441.73 g/mol
LogP9.23
Rot. Bonds15

About 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole

5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole (PubChem CID 19375365) has the molecular formula C28H43NOS and a molecular weight of 441.73 g/mol. Its IUPAC name is 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole
PubChem CID19375365
Molecular FormulaC28H43NOS
Molecular Weight441.73 g/mol
Exact Mass441.31
IUPAC Name5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole
SMILESCCCCCCCCCCc1ncc(-c2ccc(OCCCC3CCCCC3)cc2)s1
InChIInChI=1S/C28H43NOS/c1-2-3-4-5-6-7-8-12-17-28-29-23-27(31-28)25-18-20-26(21-19-25)30-22-13-16-24-14-10-9-11-15-24/h18-21,23-24H,2-17,22H2,1H3
InChIKeyMCEKKWATMJUENF-UHFFFAOYSA-N
XLogP9.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 59.23
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

5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
CID 23354778
5-[4-[4-(6-cyclopentylhexoxy)phenyl]phenyl]-2-heptylpyrimidine
CID 19083592
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-pentyl-5-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
CID 19739061
2-[4-(8-cyclopentyloctoxy)phenyl]-5-nonoxypyrimidine
CID 19083480
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
CID 67829710
2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 19739016

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole?
The IUPAC name of 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole (CID 19375365) is 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole.
What is the SMILES notation for 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole?
The canonical SMILES for 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole is CCCCCCCCCCc1ncc(-c2ccc(OCCCC3CCCCC3)cc2)s1.
What is the InChIKey of 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole?
The InChIKey is MCEKKWATMJUENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NOS/c1-2-3-4-5-6-7-8-12-17-28-29-23-27(31-28)25-18-20-26(21-19-25)30-22-13-16-24-14-10-9-11-15-24/h18-21,23-24H,2-17,22H2,1H3.
What are the key properties of 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole?
5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole has a molecular weight of 441.73 g/mol, XLogP of 9.23, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyclohexylpropoxy)phenyl]-2-decyl-1,3-thiazole is sourced from PubChem (CID 19375365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).