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

C14H21N3O2S — CID 58168456

IUPAC(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H21N3O2S/c1-2-12-16-11(9-20-12)13(18)17-7-8-19-14(10-17)3-5-15-6-4-14/h9,15H,2-8,10H2,1H3
InChIKeyPLAFHSBGWAJUAO-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.30
Rot. Bonds2

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

(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 58168456) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID58168456
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1
InChIInChI=1S/C14H21N3O2S/c1-2-12-16-11(9-20-12)13(18)17-7-8-19-14(10-17)3-5-15-6-4-14/h9,15H,2-8,10H2,1H3
InChIKeyPLAFHSBGWAJUAO-UHFFFAOYSA-N
XLogP1.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
2-[2-chloro-3-[[4-(2-ethyl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethyl propanoate
CID 66964618
1-[9-(2-amino-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043300
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135097694
[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 123744249
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
(2-butyl-1,3-thiazol-4-yl)-[9-[(2-fluoro-3-prop-2-enylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 143843562
3-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886086
(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
N-butyl-3-[2-[2-chloro-3-[[4-(2-ethyl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(3-hydroxypropyl)propanamide
CID 58168504

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone (CID 58168456) is (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone is CCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is PLAFHSBGWAJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-12-16-11(9-20-12)13(18)17-7-8-19-14(10-17)3-5-15-6-4-14/h9,15H,2-8,10H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone?
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 295.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 58168456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).