(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C16H24N2OS — CID 124829294

IUPAC(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESCc1nc(C)c([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1
InChIInChI=1S/C16H24N2OS/c1-9-13(20-11(3)17-9)10(2)18-14-12-5-8-19-15(12)16(14)6-4-7-16/h10,12,14-15,18H,4-8H2,1-3H3/t10-,12+,14+,15+/m0/s1
InChIKeyRRERBEUAHDSFNS-QMGNLALYSA-N
MW292.45 g/mol
LogP3.37
Rot. Bonds3

About (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 124829294) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID124829294
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESCc1nc(C)c([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1
InChIInChI=1S/C16H24N2OS/c1-9-13(20-11(3)17-9)10(2)18-14-12-5-8-19-15(12)16(14)6-4-7-16/h10,12,14-15,18H,4-8H2,1-3H3/t10-,12+,14+,15+/m0/s1
InChIKeyRRERBEUAHDSFNS-QMGNLALYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine with MolForge

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Related Compounds

N-[1-(furan-2-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 86795758
(1R,5R,6R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124864909
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 84597101
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
(1R,5S,6R)-N-[(1S)-1-[4-(tetrazol-1-yl)phenyl]ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124829224
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091070
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903159
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
(1R,5S,6R)-N-[(2R)-1-(benzenesulfonyl)propan-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124739094
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 124829294) is (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is Cc1nc(C)c([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1.
What is the InChIKey of (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is RRERBEUAHDSFNS-QMGNLALYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-9-13(20-11(3)17-9)10(2)18-14-12-5-8-19-15(12)16(14)6-4-7-16/h10,12,14-15,18H,4-8H2,1-3H3/t10-,12+,14+,15+/m0/s1.
What are the key properties of (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
(1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 292.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 124829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).