N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C16H24N2OS — CID 84597101

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCc1nc(CNC2C3CCOC3C23CCCC3)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-10-13(18-11(2)20-10)9-17-14-12-5-8-19-15(12)16(14)6-3-4-7-16/h12,14-15,17H,3-9H2,1-2H3
InChIKeySGZQGEBNKIBDOQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.20
Rot. Bonds3

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

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 84597101) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID84597101
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESCc1nc(CNC2C3CCOC3C23CCCC3)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-10-13(18-11(2)20-10)9-17-14-12-5-8-19-15(12)16(14)6-3-4-7-16/h12,14-15,17H,3-9H2,1-2H3
InChIKeySGZQGEBNKIBDOQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 84597101) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is Cc1nc(CNC2C3CCOC3C23CCCC3)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is SGZQGEBNKIBDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-10-13(18-11(2)20-10)9-17-14-12-5-8-19-15(12)16(14)6-3-4-7-16/h12,14-15,17H,3-9H2,1-2H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 292.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 84597101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).