methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate

C11H9FN2O2S — CID 2783208

IUPACmethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14)
InChIKeyQSCPWUQGLBXOJB-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate

methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 2783208) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID2783208
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C11H9FN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14)
InChIKeyQSCPWUQGLBXOJB-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
CID 664327
Ethyl 2-(benzylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 3641692
Methyl 2-(2-benzoylhydrazinyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 2029361
Methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 2763352
Ethyl 5-methyl-2-[(2-phenylethyl)amino]-1,3-thiazole-4-carboxylate
CID 2474286
2-Amino-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 18322993
2-Azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719749
Methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 2768483
Methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate
CID 2768487
Methyl 2-amino-5-benzyl-1,3-thiazole-4-carboxylate
CID 49767430
5-(2-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 52124567

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 2783208) is methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1cccc(F)c1.
What is the InChIKey of methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QSCPWUQGLBXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2783208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).