methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate

C12H9ClF2N2O3S — CID 60824953

IUPACmethyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C12H9ClF2N2O3S/c1-19-10(18)8-9(13)17-12(21-8)16-6-4-2-3-5-7(6)20-11(14)15/h2-5,11H,1H3,(H,16,17)
InChIKeyZVUNGHSLPKYIBM-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.93
Rot. Bonds5

About methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate (PubChem CID 60824953) has the molecular formula C12H9ClF2N2O3S and a molecular weight of 334.73 g/mol. Its IUPAC name is methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
PubChem CID60824953
Molecular FormulaC12H9ClF2N2O3S
Molecular Weight334.73 g/mol
Exact Mass334.00
IUPAC Namemethyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Nc2ccccc2OC(F)F)nc1Cl
InChIInChI=1S/C12H9ClF2N2O3S/c1-19-10(18)8-9(13)17-12(21-8)16-6-4-2-3-5-7(6)20-11(14)15/h2-5,11H,1H3,(H,16,17)
InChIKeyZVUNGHSLPKYIBM-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-2-((2-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2525957
4-Chloro-2-((4-methoxyphenyl)amino)-1,3-thiazole-5-carbaldehyde
CID 2471296
1-[4-Amino-2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]ethanone
CID 46285520
2-(3-chloro-4-fluoroanilino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 177655035
Ethyl 2-(4-methoxyanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 58496173
2-(2-Methoxyanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 84103913
4-[4-(Difluoromethoxy)anilino]-2-methylsulfanyl-1,3-thiazole-5-carboxylic acid
CID 176133747
2-Cyclopropyl-4-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxamide
CID 176133754
Methyl 4-[4-(difluoromethoxy)anilino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate
CID 176551332
Ethyl 5-methyl-3-((4-(trifluoromethoxy)phenyl)amino)-2,4-thiazolecarboxylate
CID 1234883
Methyl 4-chloro-2-[[3-(difluoromethoxy)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 49430307
Methyl 4-chloro-2-[4-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate
CID 60824952

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate (CID 60824953) is methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Nc2ccccc2OC(F)F)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZVUNGHSLPKYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O3S/c1-19-10(18)8-9(13)17-12(21-8)16-6-4-2-3-5-7(6)20-11(14)15/h2-5,11H,1H3,(H,16,17).
What are the key properties of methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate has a molecular weight of 334.73 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[2-(difluoromethoxy)anilino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60824953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).