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

C17H22N2O3S — CID 121122663

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCc1sc(C)nc1C
InChIInChI=1S/C17H22N2O3S/c1-10-6-7-14(15(8-10)21-5)22-12(3)17(20)18-9-16-11(2)19-13(4)23-16/h6-8,12H,9H2,1-5H3,(H,18,20)
InChIKeyKWQADZAZNBXRKY-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.16
Rot. Bonds6

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide (PubChem CID 121122663) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
PubChem CID121122663
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCc1sc(C)nc1C
InChIInChI=1S/C17H22N2O3S/c1-10-6-7-14(15(8-10)21-5)22-12(3)17(20)18-9-16-11(2)19-13(4)23-16/h6-8,12H,9H2,1-5H3,(H,18,20)
InChIKeyKWQADZAZNBXRKY-UHFFFAOYSA-N
XLogP3.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122639
2-(3-chlorophenoxy)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122668
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819660
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941293
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
CID 90492184
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide (CID 121122663) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide is COc1cc(C)ccc1OC(C)C(=O)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
The InChIKey is KWQADZAZNBXRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-10-6-7-14(15(8-10)21-5)22-12(3)17(20)18-9-16-11(2)19-13(4)23-16/h6-8,12H,9H2,1-5H3,(H,18,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide has a molecular weight of 334.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide is sourced from PubChem (CID 121122663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).