1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone

C14H15NO2S — CID 64543420

IUPAC1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCCOc1ccc(-c2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-3-8-17-12-6-4-11(5-7-12)14-15-13(9-18-14)10(2)16/h4-7,9H,3,8H2,1-2H3
InChIKeySUDLUGQREBCCIV-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone

1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543420) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543420
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCCCOc1ccc(-c2nc(C(C)=O)cs2)cc1
InChIInChI=1S/C14H15NO2S/c1-3-8-17-12-6-4-11(5-7-12)14-15-13(9-18-14)10(2)16/h4-7,9H,3,8H2,1-2H3
InChIKeySUDLUGQREBCCIV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
pyridin-3-ylmethyl 2-(4-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 166205252
4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251703
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119646207
3-fluoro-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259249
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone (CID 64543420) is 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone is CCCOc1ccc(-c2nc(C(C)=O)cs2)cc1.
What is the InChIKey of 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is SUDLUGQREBCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-8-17-12-6-4-11(5-7-12)14-15-13(9-18-14)10(2)16/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 261.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).