4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide

C17H24N2O2S — CID 2124930

IUPAC4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)13-6-8-14(9-7-13)21-11-4-5-15(20)19-16-18-10-12-22-16/h6-9H,4-5,10-12H2,1-3H3,(H,18,19,20)
InChIKeyIXMAETAZRNHAQE-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.36
Rot. Bonds5

About 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide

4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide (PubChem CID 2124930) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
PubChem CID2124930
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C17H24N2O2S/c1-17(2,3)13-6-8-14(9-7-13)21-11-4-5-15(20)19-16-18-10-12-22-16/h6-9H,4-5,10-12H2,1-3H3,(H,18,19,20)
InChIKeyIXMAETAZRNHAQE-UHFFFAOYSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 1086015
N-(4,5-Dihydro-thiazol-2-yl)-2-p-tolyloxy-acetamide
CID 801165
4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
CID 2561100
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
3H-Pyrimidin-4-one, 2-ethylsulfanyl-6-methyl-5-(2-m-tolyloxyethyl)-
CID 135448681
6-amino-2-(2-(4-tert-butylphenoxy)ethylsulfanyl)-1H-pyrimidin-4-one
CID 135406760
3-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)propanamide
CID 2397841
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 3149890
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 3350277
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 24250942
2-(4-methoxyphenyl)-N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2904606
2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone
CID 135449349

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide (CID 2124930) is 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The InChIKey is IXMAETAZRNHAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-17(2,3)13-6-8-14(9-7-13)21-11-4-5-15(20)19-16-18-10-12-22-16/h6-9H,4-5,10-12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide has a molecular weight of 320.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2124930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).