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

C11H11N3O2S — CID 14171369

IUPACmethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)8-9(12)14-17-10(8)13-7-5-3-2-4-6-7/h2-6,13H,1H3,(H2,12,14)
InChIKeyAAYYLMAOWLNJBE-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.26
Rot. Bonds3

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

methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate (PubChem CID 14171369) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
PubChem CID14171369
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1Nc1ccccc1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)8-9(12)14-17-10(8)13-7-5-3-2-4-6-7/h2-6,13H,1H3,(H2,12,14)
InChIKeyAAYYLMAOWLNJBE-UHFFFAOYSA-N
XLogP2.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate (CID 14171369) is methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1Nc1ccccc1.
What is the InChIKey of methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
The InChIKey is AAYYLMAOWLNJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-11(15)8-9(12)14-17-10(8)13-7-5-3-2-4-6-7/h2-6,13H,1H3,(H2,12,14).
What are the key properties of methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-anilino-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 14171369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).