3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide

C18H24N2O3S — CID 110418857

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCCOC(C)C)n2)cc1
InChIInChI=1S/C18H24N2O3S/c1-13(2)23-11-10-19-17(21)8-9-18-20-16(12-24-18)14-4-6-15(22-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyXCXQGLVHDCVEQQ-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.29
Rot. Bonds9

About 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide (PubChem CID 110418857) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
PubChem CID110418857
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCCOC(C)C)n2)cc1
InChIInChI=1S/C18H24N2O3S/c1-13(2)23-11-10-19-17(21)8-9-18-20-16(12-24-18)14-4-6-15(22-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyXCXQGLVHDCVEQQ-UHFFFAOYSA-N
XLogP3.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 110409063
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622556
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47076382
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide (CID 110418857) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide is COc1ccc(-c2csc(CCC(=O)NCCOC(C)C)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide?
The InChIKey is XCXQGLVHDCVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13(2)23-11-10-19-17(21)8-9-18-20-16(12-24-18)14-4-6-15(22-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide has a molecular weight of 348.47 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide is sourced from PubChem (CID 110418857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).