methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate

C10H6Cl2N2O2S — CID 56993361

IUPACmethyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2cnsn2)c1Cl
InChIInChI=1S/C10H6Cl2N2O2S/c1-16-10(15)5-2-3-6(11)8(9(5)12)7-4-13-17-14-7/h2-4H,1H3
InChIKeyWXABDWCGQHYVBN-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.30
Rot. Bonds2

About methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate

methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate (PubChem CID 56993361) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
PubChem CID56993361
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Namemethyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2cnsn2)c1Cl
InChIInChI=1S/C10H6Cl2N2O2S/c1-16-10(15)5-2-3-6(11)8(9(5)12)7-4-13-17-14-7/h2-4H,1H3
InChIKeyWXABDWCGQHYVBN-UHFFFAOYSA-N
XLogP3.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dichloro-3-(furan-2-yl)benzoate
CID 168526660
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 3-(bromomethyl)-2,4-dichlorobenzoate
CID 15477480
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087927
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 7-chloro-1-benzothiophene-4-carboxylate
CID 130063077
methyl 4-chloro-2,3-diiodobenzoate
CID 131027106
methyl 2,3-dichloro-4-iodobenzoate
CID 134104394

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate?
The IUPAC name of methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate (CID 56993361) is methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate.
What is the SMILES notation for methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate?
The canonical SMILES for methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate is COC(=O)c1ccc(Cl)c(-c2cnsn2)c1Cl.
What is the InChIKey of methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate?
The InChIKey is WXABDWCGQHYVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c1-16-10(15)5-2-3-6(11)8(9(5)12)7-4-13-17-14-7/h2-4H,1H3.
What are the key properties of methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate?
methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate has a molecular weight of 289.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate is sourced from PubChem (CID 56993361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).