2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid

C19H22N2O4S — CID 119214943

IUPAC2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)NC3(CC(=O)O)CCOCC3)cs2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-2-4-14(5-3-13)18-20-15(12-26-18)10-16(22)21-19(11-17(23)24)6-8-25-9-7-19/h2-5,12H,6-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyIQSYOVTXYLMKHA-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214943) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
PubChem CID119214943
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
SMILESCc1ccc(-c2nc(CC(=O)NC3(CC(=O)O)CCOCC3)cs2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13-2-4-14(5-3-13)18-20-15(12-26-18)10-16(22)21-19(11-17(23)24)6-8-25-9-7-19/h2-5,12H,6-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyIQSYOVTXYLMKHA-UHFFFAOYSA-N
XLogP2.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558
2-[1-[[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217490
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
2-[1-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 79848391
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
2-[1-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119218180
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8776935
2-[4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215709
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]oxan-4-yl]acetic acid
CID 119214834
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
CID 126767657

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid (CID 119214943) is 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid is Cc1ccc(-c2nc(CC(=O)NC3(CC(=O)O)CCOCC3)cs2)cc1.
What is the InChIKey of 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid?
The InChIKey is IQSYOVTXYLMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-2-4-14(5-3-13)18-20-15(12-26-18)10-16(22)21-19(11-17(23)24)6-8-25-9-7-19/h2-5,12H,6-11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid has a molecular weight of 374.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).