2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

C17H22N2O2S — CID 121122639

IUPAC2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2sc(C)nc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-10-6-11(2)8-15(7-10)21-13(4)17(20)18-9-16-12(3)19-14(5)22-16/h6-8,13H,9H2,1-5H3,(H,18,20)
InChIKeyWNZGVQSQWDZNDY-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.46
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 121122639) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID121122639
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2sc(C)nc2C)c1
InChIInChI=1S/C17H22N2O2S/c1-10-6-11(2)8-15(7-10)21-13(4)17(20)18-9-16-12(3)19-14(5)22-16/h6-8,13H,9H2,1-5H3,(H,18,20)
InChIKeyWNZGVQSQWDZNDY-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122668
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121122663
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570
2-(3,5-dimethylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]propanamide
CID 122261861

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (CID 121122639) is 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2sc(C)nc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is WNZGVQSQWDZNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-10-6-11(2)8-15(7-10)21-13(4)17(20)18-9-16-12(3)19-14(5)22-16/h6-8,13H,9H2,1-5H3,(H,18,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 121122639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).