2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid

C17H20N2O4S — CID 120529025

IUPAC2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCC(C)c1ncc(C(=O)NCCc2ccc(OCC(=O)O)cc2)s1
InChIInChI=1S/C17H20N2O4S/c1-11(2)17-19-9-14(24-17)16(22)18-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyNRXASDMXVKGOBS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.70
Rot. Bonds8

About 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 120529025) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID120529025
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCC(C)c1ncc(C(=O)NCCc2ccc(OCC(=O)O)cc2)s1
InChIInChI=1S/C17H20N2O4S/c1-11(2)17-19-9-14(24-17)16(22)18-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyNRXASDMXVKGOBS-UHFFFAOYSA-N
XLogP2.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]octanoic acid
CID 120535642
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529046
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255846
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 120529025) is 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid is CC(C)c1ncc(C(=O)NCCc2ccc(OCC(=O)O)cc2)s1.
What is the InChIKey of 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is NRXASDMXVKGOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11(2)17-19-9-14(24-17)16(22)18-8-7-12-3-5-13(6-4-12)23-10-15(20)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 348.42 g/mol, XLogP of 2.70, 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-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120529025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).