9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane

C15H24N2OS — CID 86771402

IUPAC9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESCCCc1nc(CN2CCOCC3(CCC3)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-2-4-14-16-13(10-19-14)9-17-7-8-18-12-15(11-17)5-3-6-15/h10H,2-9,11-12H2,1H3
InChIKeySCUGULXEGOLDGT-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.10
Rot. Bonds4

About 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane

9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane (PubChem CID 86771402) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane.

Molecular Properties

Compound Name9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
PubChem CID86771402
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
SMILESCCCc1nc(CN2CCOCC3(CCC3)C2)cs1
InChIInChI=1S/C15H24N2OS/c1-2-4-14-16-13(10-19-14)9-17-7-8-18-12-15(11-17)5-3-6-15/h10H,2-9,11-12H2,1H3
InChIKeySCUGULXEGOLDGT-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol
CID 55055806
3-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
CID 64175406
3-ethoxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 64688360
2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 64722763
(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384838
(5R)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384839
(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384860
(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384861
(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472143
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
1-[(6R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494994
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995

Frequently Asked Questions

What is the IUPAC name of 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The IUPAC name of 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane (CID 86771402) is 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane.
What is the SMILES notation for 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The canonical SMILES for 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane is CCCc1nc(CN2CCOCC3(CCC3)C2)cs1.
What is the InChIKey of 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
The InChIKey is SCUGULXEGOLDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-4-14-16-13(10-19-14)9-17-7-8-18-12-15(11-17)5-3-6-15/h10H,2-9,11-12H2,1H3.
What are the key properties of 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane?
9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane has a molecular weight of 280.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane is sourced from PubChem (CID 86771402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).