2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole

C16H28N4OS — CID 131654595

IUPAC2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCC1CC2(CCN(c3nnc(C)s3)CC2)CN1C(C)C
InChIInChI=1S/C16H28N4OS/c1-12(2)20-11-16(9-14(20)10-21-4)5-7-19(8-6-16)15-18-17-13(3)22-15/h12,14H,5-11H2,1-4H3
InChIKeyVINDQHYYAZCMQS-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole

2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 131654595) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID131654595
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
SMILESCOCC1CC2(CCN(c3nnc(C)s3)CC2)CN1C(C)C
InChIInChI=1S/C16H28N4OS/c1-12(2)20-11-16(9-14(20)10-21-4)5-7-19(8-6-16)15-18-17-13(3)22-15/h12,14H,5-11H2,1-4H3
InChIKeyVINDQHYYAZCMQS-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 171692453
(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375014
(3R)-8-(cyclopropylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375029
3-(methoxymethyl)-N,N-dimethyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 131644894
(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97375004
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134074221
2-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole
CID 131663345
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655457
(4-fluorophenyl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134077951
2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;bis(2,2,2-trifluoroacetic acid)
CID 155839957
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131684868
2-cyclopentyloxy-1-[(3R)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97476740

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole (CID 131654595) is 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole is COCC1CC2(CCN(c3nnc(C)s3)CC2)CN1C(C)C.
What is the InChIKey of 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is VINDQHYYAZCMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-12(2)20-11-16(9-14(20)10-21-4)5-7-19(8-6-16)15-18-17-13(3)22-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 324.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 131654595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).