2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid

C19H24N2O4S — CID 45388130

IUPAC2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)13-6-8-15(9-7-13)25-10-4-5-16(22)21-18-20-14(12-26-18)11-17(23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyIQCMSXLJEOERFA-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 45388130) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID45388130
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)13-6-8-15(9-7-13)25-10-4-5-16(22)21-18-20-14(12-26-18)11-17(23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyIQCMSXLJEOERFA-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-1,3-thiazol-4-yl]acetate
CID 19237070
4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 2072136
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
ethyl 2-[2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 2072295
4-(4-tert-butylphenoxy)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide
CID 7942434
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170611
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid (CID 45388130) is 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid is CC(C)(C)c1ccc(OCCCC(=O)Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is IQCMSXLJEOERFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)13-6-8-15(9-7-13)25-10-4-5-16(22)21-18-20-14(12-26-18)11-17(23)24/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 376.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 45388130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).