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

C19H23N3OS — CID 97469660

IUPAC(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(13-24-14)12-22-9-7-19(8-10-22)17(11-18(23)21-19)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyMHHPCDIROYXKRJ-KRWDZBQOSA-N
MW341.48 g/mol
LogP3.09
Rot. Bonds3

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

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469660) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469660
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cs1
InChIInChI=1S/C19H23N3OS/c1-14-20-16(13-24-14)12-22-9-7-19(8-10-22)17(11-18(23)21-19)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyMHHPCDIROYXKRJ-KRWDZBQOSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310
1,1'-bis[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155831463
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131656109
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049
(4R)-8-(6-methylpyridazin-3-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469671
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
(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
(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97391661
2-methyl-4-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171689843

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97469660) is (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-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-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cs1.
What is the InChIKey of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MHHPCDIROYXKRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-20-16(13-24-14)12-22-9-7-19(8-10-22)17(11-18(23)21-19)15-5-3-2-4-6-15/h2-6,13,17H,7-12H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).