2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid

C19H18N2O3S — CID 9155947

IUPAC2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCOc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C19H18N2O3S/c22-18(23)12-15-13-25-19(21-15)20-10-11-24-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,21)(H,22,23)
InChIKeyXISSVYWGRKEIIB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9155947) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID9155947
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCCOc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C19H18N2O3S/c22-18(23)12-15-13-25-19(21-15)20-10-11-24-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,21)(H,22,23)
InChIKeyXISSVYWGRKEIIB-UHFFFAOYSA-N
XLogP3.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
4-methyl-2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazole-5-carboxylate
CID 9156219
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-[2-(4-chloro-3-methylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155942
2-[2-[2-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988385
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155837
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 9155947) is 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCCOc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XISSVYWGRKEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-18(23)12-15-13-25-19(21-15)20-10-11-24-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9155947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).