N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide

C16H25N3O2S — CID 126796511

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC3(CCCOC3)C2)sc1C
InChIInChI=1S/C16H25N3O2S/c1-3-13-12(2)22-15(17-13)18-14(20)9-19-7-6-16(10-19)5-4-8-21-11-16/h3-11H2,1-2H3,(H,17,18,20)
InChIKeyONRGWLXFVNASDL-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.45
Rot. Bonds4

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide (PubChem CID 126796511) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide
PubChem CID126796511
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC3(CCCOC3)C2)sc1C
InChIInChI=1S/C16H25N3O2S/c1-3-13-12(2)22-15(17-13)18-14(20)9-19-7-6-16(10-19)5-4-8-21-11-16/h3-11H2,1-2H3,(H,17,18,20)
InChIKeyONRGWLXFVNASDL-UHFFFAOYSA-N
XLogP2.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide (CID 126796511) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide is CCc1nc(NC(=O)CN2CCC3(CCCOC3)C2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide?
The InChIKey is ONRGWLXFVNASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-13-12(2)22-15(17-13)18-14(20)9-19-7-6-16(10-19)5-4-8-21-11-16/h3-11H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(7-oxa-2-azaspiro[4.5]decan-2-yl)acetamide is sourced from PubChem (CID 126796511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).