methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate

C11H11N3O2S — CID 53271200

IUPACmethyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(C)n1
InChIInChI=1S/C11H11N3O2S/c1-6-4-3-5-7(13-6)9-8(10(15)16-2)14-11(12)17-9/h3-5H,1-2H3,(H2,12,14)
InChIKeyDEZZYUYFMZEITR-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.88
Rot. Bonds2

About methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate

methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271200) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
PubChem CID53271200
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N)sc1-c1cccc(C)n1
InChIInChI=1S/C11H11N3O2S/c1-6-4-3-5-7(13-6)9-8(10(15)16-2)14-11(12)17-9/h3-5H,1-2H3,(H2,12,14)
InChIKeyDEZZYUYFMZEITR-UHFFFAOYSA-N
XLogP1.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate (CID 53271200) is methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N)sc1-c1cccc(C)n1.
What is the InChIKey of methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DEZZYUYFMZEITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-4-3-5-7(13-6)9-8(10(15)16-2)14-11(12)17-9/h3-5H,1-2H3,(H2,12,14).
What are the key properties of methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate?
methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).