methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate

C12H11FN2O2S — CID 80572029

IUPACmethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(C)ccc2F)s1
InChIInChI=1S/C12H11FN2O2S/c1-7-3-4-8(13)9(5-7)15-12-14-6-10(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyCCNHUTZZIKDNHQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds3

About methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate

methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate (PubChem CID 80572029) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
PubChem CID80572029
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Namemethyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cc(C)ccc2F)s1
InChIInChI=1S/C12H11FN2O2S/c1-7-3-4-8(13)9(5-7)15-12-14-6-10(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyCCNHUTZZIKDNHQ-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
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-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423315
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-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-(3-iodo-2-methylanilino)-1,3-thiazole-5-carboxylate
CID 114258140
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80572325

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate (CID 80572029) is methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cc(C)ccc2F)s1.
What is the InChIKey of methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is CCNHUTZZIKDNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-3-4-8(13)9(5-7)15-12-14-6-10(18-12)11(16)17-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).