6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C19H31N3OS — CID 126464524

IUPAC6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(CC)CN1CCC2(CC1)CC2C(=O)N(C)Cc1cscn1
InChIInChI=1S/C19H31N3OS/c1-4-15(5-2)11-22-8-6-19(7-9-22)10-17(19)18(23)21(3)12-16-13-24-14-20-16/h13-15,17H,4-12H2,1-3H3
InChIKeyAFSVCYQPWQYHSX-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.64
Rot. Bonds7

About 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126464524) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126464524
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(CC)CN1CCC2(CC1)CC2C(=O)N(C)Cc1cscn1
InChIInChI=1S/C19H31N3OS/c1-4-15(5-2)11-22-8-6-19(7-9-22)10-17(19)18(23)21(3)12-16-13-24-14-20-16/h13-15,17H,4-12H2,1-3H3
InChIKeyAFSVCYQPWQYHSX-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126464524) is 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is CCC(CC)CN1CCC2(CC1)CC2C(=O)N(C)Cc1cscn1.
What is the InChIKey of 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is AFSVCYQPWQYHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-4-15(5-2)11-22-8-6-19(7-9-22)10-17(19)18(23)21(3)12-16-13-24-14-20-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 349.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126464524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).