1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane

C16H27N3OS — CID 138810125

IUPAC1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCC(C)c1csc(CN2CCN(C)C3(CCOCC3)C2)n1
InChIInChI=1S/C16H27N3OS/c1-13(2)14-11-21-15(17-14)10-19-7-6-18(3)16(12-19)4-8-20-9-5-16/h11,13H,4-10,12H2,1-3H3
InChIKeyNYDKPUUXJXUTNS-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.56
Rot. Bonds3

About 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane

1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane (PubChem CID 138810125) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
PubChem CID138810125
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
SMILESCC(C)c1csc(CN2CCN(C)C3(CCOCC3)C2)n1
InChIInChI=1S/C16H27N3OS/c1-13(2)14-11-21-15(17-14)10-19-7-6-18(3)16(12-19)4-8-20-9-5-16/h11,13H,4-10,12H2,1-3H3
InChIKeyNYDKPUUXJXUTNS-UHFFFAOYSA-N
XLogP2.56
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane with MolForge

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Launch Full Analysis

Related Compounds

3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82103335
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
CID 131909763
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
1-methyl-4-[(3-methyl-1-benzofuran-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138809629
1,3-bis[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-1,3-bis(4-propan-2-ylpiperazin-1-yl)propan-2-one
CID 174507026
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115703292
[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 116969441
6-(oxan-4-yl)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 167976707
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598716
methyl 5-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50983299
4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane;formic acid
CID 154919996
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane (CID 138810125) is 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane is CC(C)c1csc(CN2CCN(C)C3(CCOCC3)C2)n1.
What is the InChIKey of 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
The InChIKey is NYDKPUUXJXUTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13(2)14-11-21-15(17-14)10-19-7-6-18(3)16(12-19)4-8-20-9-5-16/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane?
1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane has a molecular weight of 309.48 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 138810125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).