1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one

C13H11Cl2NOS — CID 10732947

IUPAC1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
SMILESO=C(CCCc1nccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-9-4-5-10(11(15)8-9)12(17)2-1-3-13-16-6-7-18-13/h4-8H,1-3H2
InChIKeyLAHBWJPMBBKYRQ-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.66
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one

1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one (PubChem CID 10732947) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
PubChem CID10732947
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
SMILESO=C(CCCc1nccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-9-4-5-10(11(15)8-9)12(17)2-1-3-13-16-6-7-18-13/h4-8H,1-3H2
InChIKeyLAHBWJPMBBKYRQ-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
methyl 6-(2,4-dichlorophenyl)-6-oxohexanoate
CID 146009606
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
1-(2,4-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969550
4-chloro-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]benzoic acid
CID 63240493
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824781
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 82092997
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801
4-(2,4-dichlorophenyl)-4-oxobutanenitrile
CID 43608235
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774048

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one (CID 10732947) is 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one is O=C(CCCc1nccs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one?
The InChIKey is LAHBWJPMBBKYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-9-4-5-10(11(15)8-9)12(17)2-1-3-13-16-6-7-18-13/h4-8H,1-3H2.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one?
1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one has a molecular weight of 300.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 10732947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).