10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one

C17H12N2OS — CID 139804736

IUPAC10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2ccc(-c3nccs3)cc21
InChIInChI=1S/C17H12N2OS/c1-19-14-5-3-2-4-12(14)16(20)13-7-6-11(10-15(13)19)17-18-8-9-21-17/h2-10H,1H3
InChIKeyIAFYCPHHFHVWNG-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.82
Rot. Bonds1

About 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one

10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one (PubChem CID 139804736) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one.

Molecular Properties

Compound Name10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one
PubChem CID139804736
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2ccc(-c3nccs3)cc21
InChIInChI=1S/C17H12N2OS/c1-19-14-5-3-2-4-12(14)16(20)13-7-6-11(10-15(13)19)17-18-8-9-21-17/h2-10H,1H3
InChIKeyIAFYCPHHFHVWNG-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one?
The IUPAC name of 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one (CID 139804736) is 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one.
What is the SMILES notation for 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one?
The canonical SMILES for 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one is Cn1c2ccccc2c(=O)c2ccc(-c3nccs3)cc21.
What is the InChIKey of 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one?
The InChIKey is IAFYCPHHFHVWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-19-14-5-3-2-4-12(14)16(20)13-7-6-11(10-15(13)19)17-18-8-9-21-17/h2-10H,1H3.
What are the key properties of 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one?
10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one has a molecular weight of 292.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one is sourced from PubChem (CID 139804736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).