1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine

C18H27N3OS — CID 86786517

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine
SMILESCc1csc(N2CCC(NC3C4CCOC4C34CCC4)CC2)n1
InChIInChI=1S/C18H27N3OS/c1-12-11-23-17(19-12)21-8-3-13(4-9-21)20-15-14-5-10-22-16(14)18(15)6-2-7-18/h11,13-16,20H,2-10H2,1H3
InChIKeyNGXXIEKAGZTNRK-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine

1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine (PubChem CID 86786517) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine
PubChem CID86786517
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine
SMILESCc1csc(N2CCC(NC3C4CCOC4C34CCC4)CC2)n1
InChIInChI=1S/C18H27N3OS/c1-12-11-23-17(19-12)21-8-3-13(4-9-21)20-15-14-5-10-22-16(14)18(15)6-2-7-18/h11,13-16,20H,2-10H2,1H3
InChIKeyNGXXIEKAGZTNRK-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109393313
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109393314
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109393319
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109393320
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109393629
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109393630
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109393635
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109393636
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109403929
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109403931
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109404478
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109404479

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine (CID 86786517) is 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine is Cc1csc(N2CCC(NC3C4CCOC4C34CCC4)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine?
The InChIKey is NGXXIEKAGZTNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-12-11-23-17(19-12)21-8-3-13(4-9-21)20-15-14-5-10-22-16(14)18(15)6-2-7-18/h11,13-16,20H,2-10H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine has a molecular weight of 333.50 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine is sourced from PubChem (CID 86786517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).