(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride

C13H20ClN3O2S — CID 67291637

IUPAC(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-10-15-11(8-19-10)12(17)16-6-7-18-13(9-16)2-4-14-5-3-13;/h8,14H,2-7,9H2,1H3;1H
InChIKeyFMXHSJCEKPUOJC-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.47
Rot. Bonds1

About (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride

(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride (PubChem CID 67291637) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
PubChem CID67291637
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
SMILESCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-10-15-11(8-19-10)12(17)16-6-7-18-13(9-16)2-4-14-5-3-13;/h8,14H,2-7,9H2,1H3;1H
InChIKeyFMXHSJCEKPUOJC-UHFFFAOYSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
(2-methyl-1,3-thiazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688995
1-[9-(2-amino-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043300
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131935308
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
[(4S,5S)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131683793
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 171318311
1-oxa-4,9-diazaspiro[5.5]undecan-4-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742789
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
[9-[[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 46238901

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride (CID 67291637) is (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride is Cc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.Cl.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
The InChIKey is FMXHSJCEKPUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c1-10-15-11(8-19-10)12(17)16-6-7-18-13(9-16)2-4-14-5-3-13;/h8,14H,2-7,9H2,1H3;1H.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride?
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 67291637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).