2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid

C15H16N2O4S — CID 28864738

IUPAC2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCC(C)C(=O)Nc1nc(-c2cccc(OCC(=O)O)c2)cs1
InChIInChI=1S/C15H16N2O4S/c1-9(2)14(20)17-15-16-12(8-22-15)10-4-3-5-11(6-10)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyMZHVERWUOJGOEK-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.87
Rot. Bonds6

About 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid

2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 28864738) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID28864738
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCC(C)C(=O)Nc1nc(-c2cccc(OCC(=O)O)c2)cs1
InChIInChI=1S/C15H16N2O4S/c1-9(2)14(20)17-15-16-12(8-22-15)10-4-3-5-11(6-10)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyMZHVERWUOJGOEK-UHFFFAOYSA-N
XLogP2.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 16532959
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 28857104
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
2-(4-chloro-2-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19194808
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 28864738) is 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid is CC(C)C(=O)Nc1nc(-c2cccc(OCC(=O)O)c2)cs1.
What is the InChIKey of 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is MZHVERWUOJGOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9(2)14(20)17-15-16-12(8-22-15)10-4-3-5-11(6-10)21-7-13(18)19/h3-6,8-9H,7H2,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 320.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 28864738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).