N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide

C20H21N3O3S — CID 28861417

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-16-8-10-17(11-9-16)26-12-2-3-19(24)23-20-22-18(13-27-20)14-4-6-15(21)7-5-14/h4-11,13H,2-3,12,21H2,1H3,(H,22,23,24)
InChIKeyFUTRACOUVMUJCM-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.20
Rot. Bonds8

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 28861417) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
PubChem CID28861417
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-16-8-10-17(11-9-16)26-12-2-3-19(24)23-20-22-18(13-27-20)14-4-6-15(21)7-5-14/h4-11,13H,2-3,12,21H2,1H3,(H,22,23,24)
InChIKeyFUTRACOUVMUJCM-UHFFFAOYSA-N
XLogP4.20
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072382
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 84560731
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide (CID 28861417) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is FUTRACOUVMUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-16-8-10-17(11-9-16)26-12-2-3-19(24)23-20-22-18(13-27-20)14-4-6-15(21)7-5-14/h4-11,13H,2-3,12,21H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 383.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 28861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).