4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one

C10H8ClNO2S — CID 82084785

IUPAC4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Cl)cc1-c1csc(=O)[nH]1
InChIInChI=1S/C10H8ClNO2S/c1-14-9-3-2-6(11)4-7(9)8-5-15-10(13)12-8/h2-5H,1H3,(H,12,13)
InChIKeyFFPQQUPRJOENDQ-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.77
Rot. Bonds2

About 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one

4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one (PubChem CID 82084785) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
PubChem CID82084785
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Cl)cc1-c1csc(=O)[nH]1
InChIInChI=1S/C10H8ClNO2S/c1-14-9-3-2-6(11)4-7(9)8-5-15-10(13)12-8/h2-5H,1H3,(H,12,13)
InChIKeyFFPQQUPRJOENDQ-UHFFFAOYSA-N
XLogP2.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
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CID 82467202
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
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3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
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3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106514718
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
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6-chloro-4-methoxy-1H-quinolin-2-one
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2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
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CID 116969940

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one (CID 82084785) is 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one is COc1ccc(Cl)cc1-c1csc(=O)[nH]1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is FFPQQUPRJOENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c1-14-9-3-2-6(11)4-7(9)8-5-15-10(13)12-8/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one?
4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 241.70 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 82084785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).