methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate

C13H16N4O2S — CID 103380270

IUPACmethyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN(Cc1ccncc1)c1snc(N)c1C(=O)OC
InChIInChI=1S/C13H16N4O2S/c1-3-17(8-9-4-6-15-7-5-9)12-10(13(18)19-2)11(14)16-20-12/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyXXOIPPFVMHMGTH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.93
Rot. Bonds5

About methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103380270) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103380270
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Namemethyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCN(Cc1ccncc1)c1snc(N)c1C(=O)OC
InChIInChI=1S/C13H16N4O2S/c1-3-17(8-9-4-6-15-7-5-9)12-10(13(18)19-2)11(14)16-20-12/h4-7H,3,8H2,1-2H3,(H2,14,16)
InChIKeyXXOIPPFVMHMGTH-UHFFFAOYSA-N
XLogP1.93
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate (CID 103380270) is methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate is CCN(Cc1ccncc1)c1snc(N)c1C(=O)OC.
What is the InChIKey of methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is XXOIPPFVMHMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-17(8-9-4-6-15-7-5-9)12-10(13(18)19-2)11(14)16-20-12/h4-7H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).