(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide

C18H28N4O2S — CID 129330786

IUPAC(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC1CCOCC1)CC2
InChIInChI=1S/C18H28N4O2S/c1-21(13-16-19-6-11-25-16)15-12-18(15)4-7-22(8-5-18)17(23)20-14-2-9-24-10-3-14/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyBGKJZBQINDAOEB-HNNXBMFYSA-N
MW364.52 g/mol
LogP2.32
Rot. Bonds4

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

(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 129330786) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID129330786
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC1CCOCC1)CC2
InChIInChI=1S/C18H28N4O2S/c1-21(13-16-19-6-11-25-16)15-12-18(15)4-7-22(8-5-18)17(23)20-14-2-9-24-10-3-14/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyBGKJZBQINDAOEB-HNNXBMFYSA-N
XLogP2.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide (CID 129330786) is (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide is CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)NC1CCOCC1)CC2.
What is the InChIKey of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is BGKJZBQINDAOEB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-21(13-16-19-6-11-25-16)15-12-18(15)4-7-22(8-5-18)17(23)20-14-2-9-24-10-3-14/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide?
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 129330786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).