N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide

C17H22N2O3S — CID 110676453

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2sc(C)nc2C(C)C)cc1
InChIInChI=1S/C17H22N2O3S/c1-11(2)15-16(23-12(3)19-15)17(20)18-9-10-22-14-7-5-13(21-4)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyWGXLXQQNFKFOKL-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 110676453) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID110676453
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2sc(C)nc2C(C)C)cc1
InChIInChI=1S/C17H22N2O3S/c1-11(2)15-16(23-12(3)19-15)17(20)18-9-10-22-14-7-5-13(21-4)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyWGXLXQQNFKFOKL-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.39
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-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110676447
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 24551130
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide (CID 110676453) is N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(OCCNC(=O)c2sc(C)nc2C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WGXLXQQNFKFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(2)15-16(23-12(3)19-15)17(20)18-9-10-22-14-7-5-13(21-4)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).