5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole

C10H14N2OS — CID 130590599

IUPAC5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(C2NCC23CCC3)s1
InChIInChI=1S/C10H14N2OS/c1-13-9-11-5-7(14-9)8-10(6-12-8)3-2-4-10/h5,8,12H,2-4,6H2,1H3
InChIKeyLADSZXOGORWMOR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.97
Rot. Bonds2

About 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole

5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole (PubChem CID 130590599) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole
PubChem CID130590599
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(C2NCC23CCC3)s1
InChIInChI=1S/C10H14N2OS/c1-13-9-11-5-7(14-9)8-10(6-12-8)3-2-4-10/h5,8,12H,2-4,6H2,1H3
InChIKeyLADSZXOGORWMOR-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole (CID 130590599) is 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole is COc1ncc(C2NCC23CCC3)s1.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole?
The InChIKey is LADSZXOGORWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-13-9-11-5-7(14-9)8-10(6-12-8)3-2-4-10/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole?
5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole has a molecular weight of 210.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-3-yl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 130590599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).