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

C14H16N2O4S — CID 9155763

IUPAC2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(OCCNc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C14H16N2O4S/c1-19-11-3-2-4-12(8-11)20-6-5-15-14-16-10(9-21-14)7-13(17)18/h2-4,8-9H,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDELJAHMQEXCINH-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.27
Rot. Bonds8

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

2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9155763) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID9155763
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1cccc(OCCNc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C14H16N2O4S/c1-19-11-3-2-4-12(8-11)20-6-5-15-14-16-10(9-21-14)7-13(17)18/h2-4,8-9H,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDELJAHMQEXCINH-UHFFFAOYSA-N
XLogP2.27
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-chloro-3-methylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155942
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
methyl 2-[2-[2-(3-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 107856367
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
2-[2-[2-(2-phenylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155947
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 55884855
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155815
2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 9155763) is 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid is COc1cccc(OCCNc2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DELJAHMQEXCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-11-3-2-4-12(8-11)20-6-5-15-14-16-10(9-21-14)7-13(17)18/h2-4,8-9H,5-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9155763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).