2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid

C19H24N2O4S — CID 119256010

IUPAC2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCC(C)(C)c1nc(CC(=O)NCCc2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)18-21-14(12-26-18)10-16(22)20-9-8-13-4-6-15(7-5-13)25-11-17(23)24/h4-7,12H,8-11H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNZRHHTOJURJSGO-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.81
Rot. Bonds8

About 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119256010) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119256010
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCC(C)(C)c1nc(CC(=O)NCCc2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)18-21-14(12-26-18)10-16(22)20-9-8-13-4-6-15(7-5-13)25-11-17(23)24/h4-7,12H,8-11H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyNZRHHTOJURJSGO-UHFFFAOYSA-N
XLogP2.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
CID 43665653
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255767
2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35180836
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170599
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid (CID 119256010) is 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid is CC(C)(C)c1nc(CC(=O)NCCc2ccc(OCC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is NZRHHTOJURJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)18-21-14(12-26-18)10-16(22)20-9-8-13-4-6-15(7-5-13)25-11-17(23)24/h4-7,12H,8-11H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 376.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119256010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).