1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one

C14H15NO2S — CID 160879816

IUPAC1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2cnc(C(=O)C(C)C)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-9(2)13(16)14-15-8-12(18-14)10-4-6-11(17-3)7-5-10/h4-9H,1-3H3
InChIKeyFDGRPKZLBJLYPN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.66
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one (PubChem CID 160879816) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
PubChem CID160879816
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2cnc(C(=O)C(C)C)s2)cc1
InChIInChI=1S/C14H15NO2S/c1-9(2)13(16)14-15-8-12(18-14)10-4-6-11(17-3)7-5-10/h4-9H,1-3H3
InChIKeyFDGRPKZLBJLYPN-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 166494680
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
1-[5-(4-methoxyphenyl)-2-propan-2-ylfuran-3-yl]-2-methylpropan-1-one
CID 122375914
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
benzyl 2-methyl-3-(5-naphthalen-2-yl-1,3-thiazol-2-yl)-3-oxopropanoate
CID 166840163
2-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
CID 53272462
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one (CID 160879816) is 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one is COc1ccc(-c2cnc(C(=O)C(C)C)s2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
The InChIKey is FDGRPKZLBJLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(2)13(16)14-15-8-12(18-14)10-4-6-11(17-3)7-5-10/h4-9H,1-3H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one?
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one has a molecular weight of 261.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 160879816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).