10H-anthracen-9-one;1,3-thiazole

C17H13NOS — CID 70599678

IUPAC10H-anthracen-9-one;1,3-thiazole
SMILESO=C1c2ccccc2Cc2ccccc21.c1cscn1
InChIInChI=1S/C14H10O.C3H3NS/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-5-3-4-1/h1-8H,9H2;1-3H
InChIKeyXWZCLBQARWZKFP-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.96
Rot. Bonds

About 10H-anthracen-9-one;1,3-thiazole

10H-anthracen-9-one;1,3-thiazole (PubChem CID 70599678) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 10H-anthracen-9-one;1,3-thiazole.

Molecular Properties

Compound Name10H-anthracen-9-one;1,3-thiazole
PubChem CID70599678
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name10H-anthracen-9-one;1,3-thiazole
SMILESO=C1c2ccccc2Cc2ccccc21.c1cscn1
InChIInChI=1S/C14H10O.C3H3NS/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-5-3-4-1/h1-8H,9H2;1-3H
InChIKeyXWZCLBQARWZKFP-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-anthracen-9-one;1,3-thiazole?
The IUPAC name of 10H-anthracen-9-one;1,3-thiazole (CID 70599678) is 10H-anthracen-9-one;1,3-thiazole.
What is the SMILES notation for 10H-anthracen-9-one;1,3-thiazole?
The canonical SMILES for 10H-anthracen-9-one;1,3-thiazole is O=C1c2ccccc2Cc2ccccc21.c1cscn1.
What is the InChIKey of 10H-anthracen-9-one;1,3-thiazole?
The InChIKey is XWZCLBQARWZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O.C3H3NS/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-5-3-4-1/h1-8H,9H2;1-3H.
What are the key properties of 10H-anthracen-9-one;1,3-thiazole?
10H-anthracen-9-one;1,3-thiazole has a molecular weight of 279.36 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-anthracen-9-one;1,3-thiazole is sourced from PubChem (CID 70599678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).