N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide

C17H22N2O2S — CID 19184081

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-14-7-9-15(10-8-14)21-11-5-6-16(20)19-17-18-12(2)13(3)22-17/h7-10H,4-6,11H2,1-3H3,(H,18,19,20)
InChIKeyUVXIPSLKZZKRQU-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.12
Rot. Bonds7

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide (PubChem CID 19184081) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
PubChem CID19184081
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-14-7-9-15(10-8-14)21-11-5-6-16(20)19-17-18-12(2)13(3)22-17/h7-10H,4-6,11H2,1-3H3,(H,18,19,20)
InChIKeyUVXIPSLKZZKRQU-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.12
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

ethyl 2-[3-(4-ethylphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108807240
4-(4-ethylphenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108750889
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 4132803
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19228203
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide (CID 19184081) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2nc(C)c(C)s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is UVXIPSLKZZKRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-14-7-9-15(10-8-14)21-11-5-6-16(20)19-17-18-12(2)13(3)22-17/h7-10H,4-6,11H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 318.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 19184081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).