N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C21H28N6O3S — CID 146415363

IUPACN-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)nc2)C3O)s1
InChIInChI=1S/C21H28N6O3S/c1-13-4-5-16(10-22-13)12-27-18(29)21(25-20(27)30)6-8-26(9-7-21)14(2)17-11-23-19(31-17)24-15(3)28/h4-5,10-11,14,18,29H,6-9,12H2,1-3H3,(H,25,30)(H,23,24,28)/t14-,18?/m0/s1
InChIKeyYFAFYNHRXNAFEG-PIVQAISJSA-N
MW444.56 g/mol
LogP2.24
Rot. Bonds5

About N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415363) has the molecular formula C21H28N6O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146415363
Molecular FormulaC21H28N6O3S
Molecular Weight444.56 g/mol
Exact Mass444.19
IUPAC NameN-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)nc2)C3O)s1
InChIInChI=1S/C21H28N6O3S/c1-13-4-5-16(10-22-13)12-27-18(29)21(25-20(27)30)6-8-26(9-7-21)14(2)17-11-23-19(31-17)24-15(3)28/h4-5,10-11,14,18,29H,6-9,12H2,1-3H3,(H,25,30)(H,23,24,28)/t14-,18?/m0/s1
InChIKeyYFAFYNHRXNAFEG-PIVQAISJSA-N
XLogP2.24
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 146415363) is N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc([C@H](C)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)nc2)C3O)s1.
What is the InChIKey of N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YFAFYNHRXNAFEG-PIVQAISJSA-N. The full InChI is InChI=1S/C21H28N6O3S/c1-13-4-5-16(10-22-13)12-27-18(29)21(25-20(27)30)6-8-26(9-7-21)14(2)17-11-23-19(31-17)24-15(3)28/h4-5,10-11,14,18,29H,6-9,12H2,1-3H3,(H,25,30)(H,23,24,28)/t14-,18?/m0/s1.
What are the key properties of N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-[4-hydroxy-3-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).