N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H27N5OS — CID 135301646

IUPACN-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)/t20-/m0/s1
InChIKeyIXQVLWJKRQGPGL-FQEVSTJZSA-N
MW385.54 g/mol
LogP3.22
Rot. Bonds4

About N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135301646) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135301646
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)nc(C)c4)C3)C2)s1
InChIInChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)/t20-/m0/s1
InChIKeyIXQVLWJKRQGPGL-FQEVSTJZSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135301646) is N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@]3(CCN(c4cc(C)nc(C)c4)C3)C2)s1.
What is the InChIKey of N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IXQVLWJKRQGPGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)/t20-/m0/s1.
What are the key properties of N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.54 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(5S)-2-(2,6-dimethyl-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135301646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).