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

C19H22N4O2S — CID 118744113

IUPAC6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C19H22N4O2S/c1-15(24)23-12-18(25)22(16-5-3-2-4-6-16)14-19(23)7-9-21(13-19)11-17-20-8-10-26-17/h2-6,8,10H,7,9,11-14H2,1H3
InChIKeyPLHHVXDHKHKBPC-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.98
Rot. Bonds3

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

6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118744113) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118744113
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C19H22N4O2S/c1-15(24)23-12-18(25)22(16-5-3-2-4-6-16)14-19(23)7-9-21(13-19)11-17-20-8-10-26-17/h2-6,8,10H,7,9,11-14H2,1H3
InChIKeyPLHHVXDHKHKBPC-UHFFFAOYSA-N
XLogP1.98
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118744113) is 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2.
What is the InChIKey of 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is PLHHVXDHKHKBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-15(24)23-12-18(25)22(16-5-3-2-4-6-16)14-19(23)7-9-21(13-19)11-17-20-8-10-26-17/h2-6,8,10H,7,9,11-14H2,1H3.
What are the key properties of 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 370.48 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118744113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).