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

C14H15NO2S — CID 62797036

IUPAC1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1nc(C)cs1
InChIInChI=1S/C14H15NO2S/c1-10-9-18-14(15-10)8-12(16)7-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyOFAUISLZGAURLQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.81
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62797036) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62797036
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1nc(C)cs1
InChIInChI=1S/C14H15NO2S/c1-10-9-18-14(15-10)8-12(16)7-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyOFAUISLZGAURLQ-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
ethyl 2-[3-[2-(2,3-dimethoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541231
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
1-[2-(4,5-dimethoxy-2-methylphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541326
CID 131842856
CID 131842856

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62797036) is 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is COc1ccccc1CC(=O)Cc1nc(C)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is OFAUISLZGAURLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-9-18-14(15-10)8-12(16)7-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62797036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).