1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H27N3O2S — CID 131648939

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(CC2CCOC2)CC3)cs1
InChIInChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h13,15H,2-12H2,1H3
InChIKeyDOWZEYKQKSNXOR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131648939) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131648939
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(CC2CCOC2)CC3)cs1
InChIInChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h13,15H,2-12H2,1H3
InChIKeyDOWZEYKQKSNXOR-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
9-[(2,4-difluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681392
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 95317374
9-(oxolan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838750
(3aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460876
(3aR,6aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 127023846
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 124521611
9-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155864716
8-(oxan-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155864093
1-benzyl-8-(oxan-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155829263
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131648939) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)CCC23CCN(CC2CCOC2)CC3)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DOWZEYKQKSNXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)11-21-17(22)2-4-18(21)5-7-20(8-6-18)10-15-3-9-23-12-15/h13,15H,2-12H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 349.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(oxolan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131648939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).