1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

C13H21N3OS — CID 97396349

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCNCC3)cs1
InChIInChI=1S/C13H21N3OS/c1-11-15-12(9-18-11)8-16-6-7-17-10-13(16)2-4-14-5-3-13/h9,14H,2-8,10H2,1H3
InChIKeyPEHFWYOAOWNZBL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.41
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396349) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396349
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCNCC3)cs1
InChIInChI=1S/C13H21N3OS/c1-11-15-12(9-18-11)8-16-6-7-17-10-13(16)2-4-14-5-3-13/h9,14H,2-8,10H2,1H3
InChIKeyPEHFWYOAOWNZBL-UHFFFAOYSA-N
XLogP1.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
N-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 72140686
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 72140697
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CID 97511439
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 71885865
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
CID 126857072
1-Methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396370
2-Methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
CID 97409237

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396349) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCOCC23CCNCC3)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is PEHFWYOAOWNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-11-15-12(9-18-11)8-16-6-7-17-10-13(16)2-4-14-5-3-13/h9,14H,2-8,10H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 267.40 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).