1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one

C19H17NO2S — CID 158431714

IUPAC1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cscn2)ccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2S/c1-14-9-15(10-17(21)11-16-12-23-13-20-16)7-8-19(14)22-18-5-3-2-4-6-18/h2-9,12-13H,10-11H2,1H3
InChIKeyHBSUFLMPQKIZOR-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.60
Rot. Bonds6

About 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one

1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one (PubChem CID 158431714) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one
PubChem CID158431714
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cscn2)ccc1Oc1ccccc1
InChIInChI=1S/C19H17NO2S/c1-14-9-15(10-17(21)11-16-12-23-13-20-16)7-8-19(14)22-18-5-3-2-4-6-18/h2-9,12-13H,10-11H2,1H3
InChIKeyHBSUFLMPQKIZOR-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
CID 123385522
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906
1-bromo-3-(4-ethoxy-3-methylphenyl)propan-2-one
CID 134616786
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
2-(1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 54326383
1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 63410576

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one (CID 158431714) is 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one is Cc1cc(CC(=O)Cc2cscn2)ccc1Oc1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one?
The InChIKey is HBSUFLMPQKIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14-9-15(10-17(21)11-16-12-23-13-20-16)7-8-19(14)22-18-5-3-2-4-6-18/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one?
1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one has a molecular weight of 323.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenoxyphenyl)-3-(1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 158431714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).