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

C14H15NO2S — CID 115089271

IUPAC1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
SMILESCOc1ccccc1Cc1nc(CC(C)=O)cs1
InChIInChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyVHFYFGKKKITKAD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.87
Rot. Bonds5

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

1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115089271) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
PubChem CID115089271
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
SMILESCOc1ccccc1Cc1nc(CC(C)=O)cs1
InChIInChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3
InChIKeyVHFYFGKKKITKAD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285
2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82018941
1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea
CID 23555732
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-[(2-methoxyphenyl)methyl]-2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389773
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-[2-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890244
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454557
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389639
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one (CID 115089271) is 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one is COc1ccccc1Cc1nc(CC(C)=O)cs1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is VHFYFGKKKITKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-5-3-4-6-13(11)17-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115089271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).