2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone

C15H17NO4S — CID 115789182

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)cs2)c(OC)c1OC
InChIInChI=1S/C15H17NO4S/c1-9-8-21-13(16-9)7-11(17)10-5-6-12(18-2)15(20-4)14(10)19-3/h5-6,8H,7H2,1-4H3
InChIKeyYVWVFLXRSDOEQL-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 115789182) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID115789182
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)cs2)c(OC)c1OC
InChIInChI=1S/C15H17NO4S/c1-9-8-21-13(16-9)7-11(17)10-5-6-12(18-2)15(20-4)14(10)19-3/h5-6,8H,7H2,1-4H3
InChIKeyYVWVFLXRSDOEQL-UHFFFAOYSA-N
XLogP2.90
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
1-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789307
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789277
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-(4-bromo-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586850
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone (CID 115789182) is 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2nc(C)cs2)c(OC)c1OC.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is YVWVFLXRSDOEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-9-8-21-13(16-9)7-11(17)10-5-6-12(18-2)15(20-4)14(10)19-3/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 307.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 115789182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).