N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

C21H28N4OS — CID 162656266

IUPACN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(Cc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C21H28N4OS/c1-14-6-17(7-15(2)23-14)8-18-9-21(10-18)4-5-25(13-21)12-19-11-22-20(27-19)24-16(3)26/h6-7,11,18H,4-5,8-10,12-13H2,1-3H3,(H,22,24,26)
InChIKeyRWFOJTPCBVLCHR-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.96
Rot. Bonds5

About N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162656266) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID162656266
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC(Cc4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C21H28N4OS/c1-14-6-17(7-15(2)23-14)8-18-9-21(10-18)4-5-25(13-21)12-19-11-22-20(27-19)24-16(3)26/h6-7,11,18H,4-5,8-10,12-13H2,1-3H3,(H,22,24,26)
InChIKeyRWFOJTPCBVLCHR-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 162656266) is N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC(Cc4cc(C)nc(C)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RWFOJTPCBVLCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-14-6-17(7-15(2)23-14)8-18-9-21(10-18)4-5-25(13-21)12-19-11-22-20(27-19)24-16(3)26/h6-7,11,18H,4-5,8-10,12-13H2,1-3H3,(H,22,24,26).
What are the key properties of N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162656266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).