(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C19H22N2O3S — CID 97145131

IUPAC(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1cccc(-c2ncc(CN3C[C@@]4(CCOC4)CCC3=O)s2)c1
InChIInChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(9-15)18-20-10-16(25-18)11-21-12-19(6-5-17(21)22)7-8-24-13-19/h2-4,9-10H,5-8,11-13H2,1H3/t19-/m0/s1
InChIKeySWPCQDLZWPDXOB-IBGZPJMESA-N
MW358.46 g/mol
LogP3.35
Rot. Bonds4

About (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97145131) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97145131
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1cccc(-c2ncc(CN3C[C@@]4(CCOC4)CCC3=O)s2)c1
InChIInChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(9-15)18-20-10-16(25-18)11-21-12-19(6-5-17(21)22)7-8-24-13-19/h2-4,9-10H,5-8,11-13H2,1H3/t19-/m0/s1
InChIKeySWPCQDLZWPDXOB-IBGZPJMESA-N
XLogP3.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72939057
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 77090810
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
1-[(1R,5S)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
CID 56901845
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
9-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72897769
(5S)-9-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97137251
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97145131) is (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is COc1cccc(-c2ncc(CN3C[C@@]4(CCOC4)CCC3=O)s2)c1.
What is the InChIKey of (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is SWPCQDLZWPDXOB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(9-15)18-20-10-16(25-18)11-21-12-19(6-5-17(21)22)7-8-24-13-19/h2-4,9-10H,5-8,11-13H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 358.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97145131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).