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

C25H30N2O3S — CID 19191455

IUPACN-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(CCC)cc3)n2)cc1
InChIInChI=1S/C25H30N2O3S/c1-3-6-19-8-12-21(13-9-19)30-17-5-7-24(28)27-25-26-23(18-31-25)20-10-14-22(15-11-20)29-16-4-2/h8-15,18H,3-7,16-17H2,1-2H3,(H,26,27,28)
InChIKeyDZJDKNIUAJCDAN-UHFFFAOYSA-N
MW438.59 g/mol
LogP6.35
Rot. Bonds12

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

N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide (PubChem CID 19191455) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
PubChem CID19191455
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
SMILESCCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(CCC)cc3)n2)cc1
InChIInChI=1S/C25H30N2O3S/c1-3-6-19-8-12-21(13-9-19)30-17-5-7-24(28)27-25-26-23(18-31-25)20-10-14-22(15-11-20)29-16-4-2/h8-15,18H,3-7,16-17H2,1-2H3,(H,26,27,28)
InChIKeyDZJDKNIUAJCDAN-UHFFFAOYSA-N
XLogP6.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 56.35
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

4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
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
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-(4-chlorophenoxy)butanamide
CID 108762469
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide?
The IUPAC name of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide (CID 19191455) is N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide.
What is the SMILES notation for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide?
The canonical SMILES for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide is CCCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(CCC)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide?
The InChIKey is DZJDKNIUAJCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-3-6-19-8-12-21(13-9-19)30-17-5-7-24(28)27-25-26-23(18-31-25)20-10-14-22(15-11-20)29-16-4-2/h8-15,18H,3-7,16-17H2,1-2H3,(H,26,27,28).
What are the key properties of N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide?
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide has a molecular weight of 438.59 g/mol, XLogP of 6.35, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide is sourced from PubChem (CID 19191455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).