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

C14H15NO2S — CID 115089349

IUPAC1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
SMILESCOc1ccc(Cc2nc(CC(C)=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyJGJCTKSXLIETHX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.87
Rot. Bonds5

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

1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115089349) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
PubChem CID115089349
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
SMILESCOc1ccc(Cc2nc(CC(C)=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyJGJCTKSXLIETHX-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

2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115084076
N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690
[4-[[2-(cyclopropylmethyl)-1,3-thiazol-4-yl]methyl]phenyl] acetate
CID 119050942
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one (CID 115089349) is 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one is COc1ccc(Cc2nc(CC(C)=O)cs2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is JGJCTKSXLIETHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(16)7-12-9-18-14(15-12)8-11-3-5-13(17-2)6-4-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one?
1-[2-[(4-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-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115089349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).