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

C14H22N2OS — CID 114244544

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1csc(CNC2CCCC23CCOCC3)n1
InChIInChI=1S/C14H22N2OS/c1-11-10-18-13(16-11)9-15-12-3-2-4-14(12)5-7-17-8-6-14/h10,12,15H,2-9H2,1H3
InChIKeyGSXHQPVBFHTIKZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.89
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (PubChem CID 114244544) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
PubChem CID114244544
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
SMILESCc1csc(CNC2CCCC23CCOCC3)n1
InChIInChI=1S/C14H22N2OS/c1-11-10-18-13(16-11)9-15-12-3-2-4-14(12)5-7-17-8-6-14/h10,12,15H,2-9H2,1H3
InChIKeyGSXHQPVBFHTIKZ-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(Methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745724
1-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97073671
(3S)-3-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxa-2-azaspiro[3.5]nonane
CID 164633512
3-[2-Fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine
CID 113462390
2-morpholin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentan-1-amine;hydrochloride
CID 120915002
2-morpholin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentan-1-amine
CID 120915003
N-methyl-4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332503
N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 55065889
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
N-[oxan-4-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55066615
N-[(4-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 55066616
N-[cyclopentyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 55084783

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine (CID 114244544) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is Cc1csc(CNC2CCCC23CCOCC3)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
The InChIKey is GSXHQPVBFHTIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-10-18-13(16-11)9-15-12-3-2-4-14(12)5-7-17-8-6-14/h10,12,15H,2-9H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 114244544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).