1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

C19H23N5OS — CID 4088109

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
SMILESCc1nc2c3ccccc3nc(SCC(=O)N3CC(C)CC(C)C3)n2n1
InChIInChI=1S/C19H23N5OS/c1-12-8-13(2)10-23(9-12)17(25)11-26-19-21-16-7-5-4-6-15(16)18-20-14(3)22-24(18)19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXEXLNOOMAJXEFT-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.18
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (PubChem CID 4088109) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
PubChem CID4088109
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
SMILESCc1nc2c3ccccc3nc(SCC(=O)N3CC(C)CC(C)C3)n2n1
InChIInChI=1S/C19H23N5OS/c1-12-8-13(2)10-23(9-12)17(25)11-26-19-21-16-7-5-4-6-15(16)18-20-14(3)22-24(18)19/h4-7,12-13H,8-11H2,1-3H3
InChIKeyXEXLNOOMAJXEFT-UHFFFAOYSA-N
XLogP3.18
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (CID 4088109) is 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is Cc1nc2c3ccccc3nc(SCC(=O)N3CC(C)CC(C)C3)n2n1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The InChIKey is XEXLNOOMAJXEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12-8-13(2)10-23(9-12)17(25)11-26-19-21-16-7-5-4-6-15(16)18-20-14(3)22-24(18)19/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone has a molecular weight of 369.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is sourced from PubChem (CID 4088109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).