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

C20H27N7O2S — CID 146415364

IUPACN-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-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)CN(c2cc(C)nc(C)n2)C(=O)N3)s1
InChIInChI=1S/C20H27N7O2S/c1-12-9-17(23-14(3)22-12)27-11-20(25-19(27)29)5-7-26(8-6-20)13(2)16-10-21-18(30-16)24-15(4)28/h9-10,13H,5-8,11H2,1-4H3,(H,25,29)(H,21,24,28)/t13-/m0/s1
InChIKeyBCWZVTDYQLZGIM-ZDUSSCGKSA-N
MW429.55 g/mol
LogP2.63
Rot. Bonds4

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

N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146415364) has the molecular formula C20H27N7O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-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-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146415364
Molecular FormulaC20H27N7O2S
Molecular Weight429.55 g/mol
Exact Mass429.19
IUPAC NameN-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-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)CN(c2cc(C)nc(C)n2)C(=O)N3)s1
InChIInChI=1S/C20H27N7O2S/c1-12-9-17(23-14(3)22-12)27-11-20(25-19(27)29)5-7-26(8-6-20)13(2)16-10-21-18(30-16)24-15(4)28/h9-10,13H,5-8,11H2,1-4H3,(H,25,29)(H,21,24,28)/t13-/m0/s1
InChIKeyBCWZVTDYQLZGIM-ZDUSSCGKSA-N
XLogP2.63
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-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-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 146415364) is N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-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-[3-(2,6-dimethylpyrimidin-4-yl)-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-[3-(2,6-dimethylpyrimidin-4-yl)-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)CN(c2cc(C)nc(C)n2)C(=O)N3)s1.
What is the InChIKey of N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BCWZVTDYQLZGIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H27N7O2S/c1-12-9-17(23-14(3)22-12)27-11-20(25-19(27)29)5-7-26(8-6-20)13(2)16-10-21-18(30-16)24-15(4)28/h9-10,13H,5-8,11H2,1-4H3,(H,25,29)(H,21,24,28)/t13-/m0/s1.
What are the key properties of N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 429.55 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-[3-(2,6-dimethylpyrimidin-4-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146415364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).