(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine

C15H24N2OS — CID 100736254

IUPAC(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1nc(CN[C@@H]2CCCC23CCOCC3)c(C)s1
InChIInChI=1S/C15H24N2OS/c1-11-13(17-12(2)19-11)10-16-14-4-3-5-15(14)6-8-18-9-7-15/h14,16H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyBTSXBESCQVBKKR-CQSZACIVSA-N
MW280.44 g/mol
LogP3.20
Rot. Bonds3

About (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine

(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (PubChem CID 100736254) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
PubChem CID100736254
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1nc(CN[C@@H]2CCCC23CCOCC3)c(C)s1
InChIInChI=1S/C15H24N2OS/c1-11-13(17-12(2)19-11)10-16-14-4-3-5-15(14)6-8-18-9-7-15/h14,16H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyBTSXBESCQVBKKR-CQSZACIVSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62385249
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385427
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385434
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]ethanamine
CID 62387261
(4,5-Dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methanamine
CID 63739540
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63739892
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63740250
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63740783
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-2-amine
CID 63741139
4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethyl-N,2-dimethyloxan-4-amine
CID 64107374
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-2-propyloxan-4-amine
CID 64108811
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethyloxan-4-amine
CID 64108812

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (CID 100736254) is (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is Cc1nc(CN[C@@H]2CCCC23CCOCC3)c(C)s1.
What is the InChIKey of (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is BTSXBESCQVBKKR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11-13(17-12(2)19-11)10-16-14-4-3-5-15(14)6-8-18-9-7-15/h14,16H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
(4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 280.44 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 (4R)-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 100736254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).