1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one

C17H21NO2S — CID 62029445

IUPAC1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)OCCc2scnc2C)c1
InChIInChI=1S/C17H21NO2S/c1-11-5-6-12(2)15(9-11)17(19)14(4)20-8-7-16-13(3)18-10-21-16/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeySWGMPXGKIPDCCS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.90
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one

1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one (PubChem CID 62029445) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
PubChem CID62029445
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)OCCc2scnc2C)c1
InChIInChI=1S/C17H21NO2S/c1-11-5-6-12(2)15(9-11)17(19)14(4)20-8-7-16-13(3)18-10-21-16/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeySWGMPXGKIPDCCS-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
1-(2,5-dimethylphenyl)-2-pentoxypropan-1-one
CID 43801300
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
CID 55231661
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
1-[4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanone
CID 63651606
1-(2,5-dimethylphenyl)-2-pent-4-enoxypropan-1-one
CID 79112955
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55016555

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one (CID 62029445) is 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one is Cc1ccc(C)c(C(=O)C(C)OCCc2scnc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
The InChIKey is SWGMPXGKIPDCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11-5-6-12(2)15(9-11)17(19)14(4)20-8-7-16-13(3)18-10-21-16/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one?
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one has a molecular weight of 303.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one is sourced from PubChem (CID 62029445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).