chromen-4-one;1,3-thiazole

C12H9NO2S — CID 175363331

IUPACchromen-4-one;1,3-thiazole
SMILESO=c1ccoc2ccccc12.c1cscn1
InChIInChI=1S/C9H6O2.C3H3NS/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyZAGBUBBMUXWDNV-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.94
Rot. Bonds

About chromen-4-one;1,3-thiazole

chromen-4-one;1,3-thiazole (PubChem CID 175363331) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is chromen-4-one;1,3-thiazole.

Molecular Properties

Compound Namechromen-4-one;1,3-thiazole
PubChem CID175363331
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Namechromen-4-one;1,3-thiazole
SMILESO=c1ccoc2ccccc12.c1cscn1
InChIInChI=1S/C9H6O2.C3H3NS/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyZAGBUBBMUXWDNV-UHFFFAOYSA-N
XLogP2.94
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chromen-4-one;1,3-thiazole?
The IUPAC name of chromen-4-one;1,3-thiazole (CID 175363331) is chromen-4-one;1,3-thiazole.
What is the SMILES notation for chromen-4-one;1,3-thiazole?
The canonical SMILES for chromen-4-one;1,3-thiazole is O=c1ccoc2ccccc12.c1cscn1.
What is the InChIKey of chromen-4-one;1,3-thiazole?
The InChIKey is ZAGBUBBMUXWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C3H3NS/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-3-4-1/h1-6H;1-3H.
What are the key properties of chromen-4-one;1,3-thiazole?
chromen-4-one;1,3-thiazole has a molecular weight of 231.28 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-4-one;1,3-thiazole is sourced from PubChem (CID 175363331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).