4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide

C22H23ClN2O3S — CID 19184059

IUPAC4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H23ClN2O3S/c1-2-13-27-18-9-5-16(6-10-18)20-15-29-22(24-20)25-21(26)4-3-14-28-19-11-7-17(23)8-12-19/h5-12,15H,2-4,13-14H2,1H3,(H,24,25,26)
InChIKeyWZOBCKUMYPHSHG-UHFFFAOYSA-N
MW430.96 g/mol
LogP6.05
Rot. Bonds10

About 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide

4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 19184059) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID19184059
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H23ClN2O3S/c1-2-13-27-18-9-5-16(6-10-18)20-15-29-22(24-20)25-21(26)4-3-14-28-19-11-7-17(23)8-12-19/h5-12,15H,2-4,13-14H2,1H3,(H,24,25,26)
InChIKeyWZOBCKUMYPHSHG-UHFFFAOYSA-N
XLogP6.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 19184059) is 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide is CCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is WZOBCKUMYPHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-2-13-27-18-9-5-16(6-10-18)20-15-29-22(24-20)25-21(26)4-3-14-28-19-11-7-17(23)8-12-19/h5-12,15H,2-4,13-14H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide?
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 430.96 g/mol, XLogP of 6.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 19184059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).