N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine

C13H20N2OS — CID 114244609

IUPACN-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine
SMILESc1ncc(CNC2CCCC23CCOCC3)s1
InChIInChI=1S/C13H20N2OS/c1-2-12(15-9-11-8-14-10-17-11)13(3-1)4-6-16-7-5-13/h8,10,12,15H,1-7,9H2
InChIKeyZIMULTYIWCPQQN-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.58
Rot. Bonds3

About N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine

N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244609) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244609
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine
SMILESc1ncc(CNC2CCCC23CCOCC3)s1
InChIInChI=1S/C13H20N2OS/c1-2-12(15-9-11-8-14-10-17-11)13(3-1)4-6-16-7-5-13/h8,10,12,15H,1-7,9H2
InChIKeyZIMULTYIWCPQQN-UHFFFAOYSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentan-3-yl-N-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 75498796
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 62350861
N-[[2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62386478
1-(oxan-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758894
[1-(1,3-Thiazol-5-ylmethylamino)cyclopentyl]methanol
CID 62759469
[1-(1,3-Thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759471
1-(oxan-4-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63726475
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propyloxan-4-amine
CID 64102650
2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 64102651
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 64102652
2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 64102856

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine (CID 114244609) is N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine is c1ncc(CNC2CCCC23CCOCC3)s1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is ZIMULTYIWCPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-12(15-9-11-8-14-10-17-11)13(3-1)4-6-16-7-5-13/h8,10,12,15H,1-7,9H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine?
N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 252.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).