6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H21N5O2S — CID 118746073

IUPAC6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cccnc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C18H21N5O2S/c1-14(24)23-11-17(25)22(15-3-2-5-19-9-15)13-18(23)4-7-21(12-18)10-16-20-6-8-26-16/h2-3,5-6,8-9H,4,7,10-13H2,1H3
InChIKeyJTSSLRJUTFIOMI-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.38
Rot. Bonds3

About 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746073) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746073
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cccnc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C18H21N5O2S/c1-14(24)23-11-17(25)22(15-3-2-5-19-9-15)13-18(23)4-7-21(12-18)10-16-20-6-8-26-16/h2-3,5-6,8-9H,4,7,10-13H2,1H3
InChIKeyJTSSLRJUTFIOMI-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746073) is 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cccnc2)CC12CCN(Cc1nccs1)C2.
What is the InChIKey of 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is JTSSLRJUTFIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-14(24)23-11-17(25)22(15-3-2-5-19-9-15)13-18(23)4-7-21(12-18)10-16-20-6-8-26-16/h2-3,5-6,8-9H,4,7,10-13H2,1H3.
What are the key properties of 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 371.47 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-9-pyridin-3-yl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).