methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate

C11H17N3O2S — CID 120902032

IUPACmethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
SMILESCOC(=O)CC1(NCc2cnc(N)s2)CCC1
InChIInChI=1S/C11H17N3O2S/c1-16-9(15)5-11(3-2-4-11)14-7-8-6-13-10(12)17-8/h6,14H,2-5,7H2,1H3,(H2,12,13)
InChIKeyUSZWIGWTIIKYNF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate

methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate (PubChem CID 120902032) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
PubChem CID120902032
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
SMILESCOC(=O)CC1(NCc2cnc(N)s2)CCC1
InChIInChI=1S/C11H17N3O2S/c1-16-9(15)5-11(3-2-4-11)14-7-8-6-13-10(12)17-8/h6,14H,2-5,7H2,1H3,(H2,12,13)
InChIKeyUSZWIGWTIIKYNF-UHFFFAOYSA-N
XLogP1.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate (CID 120902032) is methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate is COC(=O)CC1(NCc2cnc(N)s2)CCC1.
What is the InChIKey of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate?
The InChIKey is USZWIGWTIIKYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-9(15)5-11(3-2-4-11)14-7-8-6-13-10(12)17-8/h6,14H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate?
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate is sourced from PubChem (CID 120902032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).