methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate

C11H7Cl2FN2O2S — CID 60823390

IUPACmethyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H7Cl2FN2O2S/c1-18-10(17)8-9(13)16-11(19-8)15-5-2-3-7(14)6(12)4-5/h2-4H,1H3,(H,15,16)
InChIKeyVIVUJTZMEFWSQM-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.12
Rot. Bonds3

About methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate (PubChem CID 60823390) has the molecular formula C11H7Cl2FN2O2S and a molecular weight of 321.16 g/mol. Its IUPAC name is methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
PubChem CID60823390
Molecular FormulaC11H7Cl2FN2O2S
Molecular Weight321.16 g/mol
Exact Mass319.96
IUPAC Namemethyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H7Cl2FN2O2S/c1-18-10(17)8-9(13)16-11(19-8)15-5-2-3-7(14)6(12)4-5/h2-4H,1H3,(H,15,16)
InChIKeyVIVUJTZMEFWSQM-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-acetyl-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696667
methyl 4-chloro-2-(4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60845269
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
methyl 4-chloro-2-(3,4-dicyanoanilino)-1,3-thiazole-5-carboxylate
CID 107792352
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
methyl 2-(4-bromo-3-iodoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 114261157
methyl 4-chloro-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 60846127
2-(3-chloro-4-fluoroanilino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 2551101
methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
CID 60844737
methyl 4-chloro-2-[4-(3,3,3-trifluoropropyl)anilino]-1,3-thiazole-5-carboxylate
CID 133429643
methyl 4-chloro-2-[4-(2-hydroxyethoxy)-3-methylanilino]-1,3-thiazole-5-carboxylate
CID 133451087
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate (CID 60823390) is methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccc(F)c(Cl)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is VIVUJTZMEFWSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2S/c1-18-10(17)8-9(13)16-11(19-8)15-5-2-3-7(14)6(12)4-5/h2-4H,1H3,(H,15,16).
What are the key properties of methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 321.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60823390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).