methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

C11H10N2O2S — CID 664327

IUPACmethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13)
InChIKeyFKNMSTRVGQEASS-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

About methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 664327) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
PubChem CID664327
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1ccccc1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13)
InChIKeyFKNMSTRVGQEASS-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
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
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
2-Azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 165901889
Ethyl 5-(4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 25214355

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate (CID 664327) is methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1ccccc1.
What is the InChIKey of methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is FKNMSTRVGQEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13).
What are the key properties of methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.18, 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-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 664327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).