ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate

C12H21N3O3S — CID 103383257

IUPACethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CC(C)(C)O
InChIInChI=1S/C12H21N3O3S/c1-5-15(7-12(3,4)17)10-8(9(13)14-19-10)11(16)18-6-2/h17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyAORRZBFUYFYNKW-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.50
Rot. Bonds6

About ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103383257) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103383257
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Nameethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CC)CC(C)(C)O
InChIInChI=1S/C12H21N3O3S/c1-5-15(7-12(3,4)17)10-8(9(13)14-19-10)11(16)18-6-2/h17H,5-7H2,1-4H3,(H2,13,14)
InChIKeyAORRZBFUYFYNKW-UHFFFAOYSA-N
XLogP1.50
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate (CID 103383257) is ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CC)CC(C)(C)O.
What is the InChIKey of ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is AORRZBFUYFYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-5-15(7-12(3,4)17)10-8(9(13)14-19-10)11(16)18-6-2/h17H,5-7H2,1-4H3,(H2,13,14).
What are the key properties of ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 287.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).