4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine

C19H20N2O2S — CID 28857485

IUPAC4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OCCCCOc3ccccc3)c2)cs1
InChIInChI=1S/C19H20N2O2S/c20-19-21-18(14-24-19)15-7-6-10-17(13-15)23-12-5-4-11-22-16-8-2-1-3-9-16/h1-3,6-10,13-14H,4-5,11-12H2,(H2,20,21)
InChIKeyUSKAFALHCLOKOY-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.63
Rot. Bonds8

About 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine

4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 28857485) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID28857485
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OCCCCOc3ccccc3)c2)cs1
InChIInChI=1S/C19H20N2O2S/c20-19-21-18(14-24-19)15-7-6-10-17(13-15)23-12-5-4-11-22-16-8-2-1-3-9-16/h1-3,6-10,13-14H,4-5,11-12H2,(H2,20,21)
InChIKeyUSKAFALHCLOKOY-UHFFFAOYSA-N
XLogP4.63
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.63
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-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
4-[2-(2-phenoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 28857922
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-propylacetamide
CID 28857519
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 28857104
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
CID 71463182

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine (CID 28857485) is 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccc(OCCCCOc3ccccc3)c2)cs1.
What is the InChIKey of 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is USKAFALHCLOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c20-19-21-18(14-24-19)15-7-6-10-17(13-15)23-12-5-4-11-22-16-8-2-1-3-9-16/h1-3,6-10,13-14H,4-5,11-12H2,(H2,20,21).
What are the key properties of 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine?
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 340.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28857485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).