ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate

C10H14N2O2S — CID 70793451

IUPACethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C2(N)CCC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-2-14-9(13)8-12-7(6-15-8)10(11)4-3-5-10/h6H,2-5,11H2,1H3
InChIKeyNWAWXBSADNNPEE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.66
Rot. Bonds3

About ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate

ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate (PubChem CID 70793451) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
PubChem CID70793451
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C2(N)CCC2)cs1
InChIInChI=1S/C10H14N2O2S/c1-2-14-9(13)8-12-7(6-15-8)10(11)4-3-5-10/h6H,2-5,11H2,1H3
InChIKeyNWAWXBSADNNPEE-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate (CID 70793451) is ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C2(N)CCC2)cs1.
What is the InChIKey of ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate?
The InChIKey is NWAWXBSADNNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-14-9(13)8-12-7(6-15-8)10(11)4-3-5-10/h6H,2-5,11H2,1H3.
What are the key properties of ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 70793451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).