ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate

C10H14N2O2S — CID 68678007

IUPACethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1N
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3
InChIKeyZRJBFSAYDRAPHK-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.17
Rot. Bonds3

About ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate (PubChem CID 68678007) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate
PubChem CID68678007
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1N
InChIInChI=1S/C10H14N2O2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3
InChIKeyZRJBFSAYDRAPHK-UHFFFAOYSA-N
XLogP2.17
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate (CID 68678007) is ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCC2)sc1N.
What is the InChIKey of ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate?
The InChIKey is ZRJBFSAYDRAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-14-10(13)7-8(11)15-9(12-7)6-4-3-5-6/h6H,2-5,11H2,1H3.
What are the key properties of ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-cyclobutyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 68678007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).