9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H17N3O2S — CID 97392222

IUPAC9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3nccs3)CC2)CN1
InChIInChI=1S/C12H17N3O2S/c16-10-8-17-12(9-14-10)1-4-15(5-2-12)7-11-13-3-6-18-11/h3,6H,1-2,4-5,7-9H2,(H,14,16)
InChIKeyQLZBGFAQYBDXQW-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.62
Rot. Bonds2

About 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97392222) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97392222
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3nccs3)CC2)CN1
InChIInChI=1S/C12H17N3O2S/c16-10-8-17-12(9-14-10)1-4-15(5-2-12)7-11-13-3-6-18-11/h3,6H,1-2,4-5,7-9H2,(H,14,16)
InChIKeyQLZBGFAQYBDXQW-UHFFFAOYSA-N
XLogP0.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,3-benzothiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638803
4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986244
9-[(4,5-dimethylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471371
(3R)-N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97490567
4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
CID 103993865
4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155853847
9-[(3-phenoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162628118
4-(1-methylpyrazol-4-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743868
4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
CID 63789062
1'-(1,3-thiazol-2-ylmethyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164693461
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97392222) is 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3nccs3)CC2)CN1.
What is the InChIKey of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QLZBGFAQYBDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-10-8-17-12(9-14-10)1-4-15(5-2-12)7-11-13-3-6-18-11/h3,6H,1-2,4-5,7-9H2,(H,14,16).
What are the key properties of 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 267.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97392222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).