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

C18H22N4OS — CID 97391768

IUPAC(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cs1
InChIInChI=1S/C18H22N4OS/c1-13-20-15(12-24-13)11-22-7-4-18(5-8-22)16(9-17(23)21-18)14-3-2-6-19-10-14/h2-3,6,10,12,16H,4-5,7-9,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyDBDGTGFSQFEZEO-INIZCTEOSA-N
MW342.47 g/mol
LogP2.48
Rot. Bonds3

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

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391768) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97391768
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cs1
InChIInChI=1S/C18H22N4OS/c1-13-20-15(12-24-13)11-22-7-4-18(5-8-22)16(9-17(23)21-18)14-3-2-6-19-10-14/h2-3,6,10,12,16H,4-5,7-9,11H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyDBDGTGFSQFEZEO-INIZCTEOSA-N
XLogP2.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131656109
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134074654
8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155824762
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131645184

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97391768) is (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)cs1.
What is the InChIKey of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DBDGTGFSQFEZEO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-20-15(12-24-13)11-22-7-4-18(5-8-22)16(9-17(23)21-18)14-3-2-6-19-10-14/h2-3,6,10,12,16H,4-5,7-9,11H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.47 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).