2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one

C11H10ClNO2S — CID 82089400

IUPAC2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
SMILESCOc1cc(Cl)c(C)cc1-n1sccc1=O
InChIInChI=1S/C11H10ClNO2S/c1-7-5-9(10(15-2)6-8(7)12)13-11(14)3-4-16-13/h3-6H,1-2H3
InChIKeyFSZWOUBWIKPDMB-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one

2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one (PubChem CID 82089400) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
PubChem CID82089400
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one
SMILESCOc1cc(Cl)c(C)cc1-n1sccc1=O
InChIInChI=1S/C11H10ClNO2S/c1-7-5-9(10(15-2)6-8(7)12)13-11(14)3-4-16-13/h3-6H,1-2H3
InChIKeyFSZWOUBWIKPDMB-UHFFFAOYSA-N
XLogP2.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
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4-(4-chloro-2-methoxy-5-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896157
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
CID 63466940
4-(4-chloro-2-methoxy-5-methylphenyl)piperazin-2-one
CID 117005147
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CID 144758840
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
3-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylquinazolin-4-one
CID 2595488
4-amino-2-(4-chloro-2-methoxy-5-methylphenyl)-3H-isoindol-1-one
CID 82165839
[1-(4-chloro-2-methoxy-5-methylphenyl)aziridin-2-yl]methanamine
CID 117010135
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CID 113080654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one (CID 82089400) is 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one is COc1cc(Cl)c(C)cc1-n1sccc1=O.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one?
The InChIKey is FSZWOUBWIKPDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-7-5-9(10(15-2)6-8(7)12)13-11(14)3-4-16-13/h3-6H,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one?
2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one has a molecular weight of 255.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylphenyl)-1,2-thiazol-3-one is sourced from PubChem (CID 82089400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).