1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone

C14H14ClNOS — CID 82431610

IUPAC1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(-c2ccc(Cl)cc2)sc1C(C)=O
InChIInChI=1S/C14H14ClNOS/c1-3-4-12-13(9(2)17)18-14(16-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3
InChIKeyCPIWITGFXHXQIO-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.62
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82431610) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
PubChem CID82431610
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
SMILESCCCc1nc(-c2ccc(Cl)cc2)sc1C(C)=O
InChIInChI=1S/C14H14ClNOS/c1-3-4-12-13(9(2)17)18-14(16-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3
InChIKeyCPIWITGFXHXQIO-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
ethyl 2-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 67459217
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol
CID 22647624
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate
CID 3782726
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone (CID 82431610) is 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone is CCCc1nc(-c2ccc(Cl)cc2)sc1C(C)=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is CPIWITGFXHXQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-3-4-12-13(9(2)17)18-14(16-12)10-5-7-11(15)8-6-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 279.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82431610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).