methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

C14H15FN2O2S — CID 80569591

IUPACmethyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccccc2F)nc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-12(13(18)19-2)20-14(17-9)16-8-7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyHDHMXYISIWWLLK-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569591) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569591
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Namemethyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCc2ccccc2F)nc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-12(13(18)19-2)20-14(17-9)16-8-7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyHDHMXYISIWWLLK-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858
methyl 4-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylate
CID 80569924
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 2-[(3-chloro-4-fluorophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570146
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80569591) is methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCCc2ccccc2F)nc1C.
What is the InChIKey of methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HDHMXYISIWWLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-12(13(18)19-2)20-14(17-9)16-8-7-10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).