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

C11H8ClFN2O2S — CID 80572347

IUPACmethyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(Cl)ccc2F)s1
InChIInChI=1S/C11H8ClFN2O2S/c1-17-10(16)9-5-14-11(18-9)15-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H,14,15)
InChIKeyRGTOUGQPQKQZEF-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.47
Rot. Bonds3

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

methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate (PubChem CID 80572347) has the molecular formula C11H8ClFN2O2S and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
PubChem CID80572347
Molecular FormulaC11H8ClFN2O2S
Molecular Weight286.72 g/mol
Exact Mass286.00
IUPAC Namemethyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(Cl)ccc2F)s1
InChIInChI=1S/C11H8ClFN2O2S/c1-17-10(16)9-5-14-11(18-9)15-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H,14,15)
InChIKeyRGTOUGQPQKQZEF-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
methyl 2-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767
methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80571913
methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
CID 107647034
methyl 2-(3-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571491
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate (CID 80572347) is methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cc(Cl)ccc2F)s1.
What is the InChIKey of methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is RGTOUGQPQKQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S/c1-17-10(16)9-5-14-11(18-9)15-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H,14,15).
What are the key properties of methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).