N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C16H26N4O2S — CID 56904905

IUPACN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H26N4O2S/c1-22-8-7-20(11-14-18-6-9-23-14)15(21)13-10-16(12-19-13)2-4-17-5-3-16/h6,9,13,17,19H,2-5,7-8,10-12H2,1H3
InChIKeyNEJLFDGGRWCEMH-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.85
Rot. Bonds6

About N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56904905) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56904905
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H26N4O2S/c1-22-8-7-20(11-14-18-6-9-23-14)15(21)13-10-16(12-19-13)2-4-17-5-3-16/h6,9,13,17,19H,2-5,7-8,10-12H2,1H3
InChIKeyNEJLFDGGRWCEMH-UHFFFAOYSA-N
XLogP0.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
2-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370188
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375574
1-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397424
N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 118741053
Sdccgsbi-0117438.P001
CID 26412149
(5R,10S)-10-ethyl-1-(2-methoxyethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 125251000
N-(2-methoxyethyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 132467781
5,5-Dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one
CID 20590022
1,3-Thiazol-2-ylmethyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59540406
1,3-Thiazol-2-ylmethyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 67612273
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CID 144076290

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56904905) is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is COCCN(Cc1nccs1)C(=O)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NEJLFDGGRWCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-22-8-7-20(11-14-18-6-9-23-14)15(21)13-10-16(12-19-13)2-4-17-5-3-16/h6,9,13,17,19H,2-5,7-8,10-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56904905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).