3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C16H26N4O2S — CID 118742775

IUPAC3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CC2(CCN(C(N)=O)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-12-18-13(10-23-12)8-20-11-16(7-14(20)9-22-2)3-5-19(6-4-16)15(17)21/h10,14H,3-9,11H2,1-2H3,(H2,17,21)
InChIKeyKHZHYOQUHVFYHC-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.83
Rot. Bonds4

About 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 118742775) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID118742775
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CC2(CCN(C(N)=O)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C16H26N4O2S/c1-12-18-13(10-23-12)8-20-11-16(7-14(20)9-22-2)3-5-19(6-4-16)15(17)21/h10,14H,3-9,11H2,1-2H3,(H2,17,21)
InChIKeyKHZHYOQUHVFYHC-UHFFFAOYSA-N
XLogP1.83
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 118742775) is 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is COCC1CC2(CCN(C(N)=O)CC2)CN1Cc1csc(C)n1.
What is the InChIKey of 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is KHZHYOQUHVFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-18-13(10-23-12)8-20-11-16(7-14(20)9-22-2)3-5-19(6-4-16)15(17)21/h10,14H,3-9,11H2,1-2H3,(H2,17,21).
What are the key properties of 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118742775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).