1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone

C12H8N2O2S — CID 116867478

IUPAC1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C12H8N2O2S/c1-7(15)12-14-10(5-17-12)8-2-3-9-11(4-8)16-6-13-9/h2-6H,1H3
InChIKeyZTGODNNFFRDWLJ-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.15
Rot. Bonds2

About 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone

1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 116867478) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID116867478
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc3ncoc3c2)cs1
InChIInChI=1S/C12H8N2O2S/c1-7(15)12-14-10(5-17-12)8-2-3-9-11(4-8)16-6-13-9/h2-6H,1H3
InChIKeyZTGODNNFFRDWLJ-UHFFFAOYSA-N
XLogP3.15
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
CID 116966777
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23972068
4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
CID 95478159
[1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate
CID 23944152
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone (CID 116867478) is 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc3ncoc3c2)cs1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is ZTGODNNFFRDWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-7(15)12-14-10(5-17-12)8-2-3-9-11(4-8)16-6-13-9/h2-6H,1H3.
What are the key properties of 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone?
1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 244.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 116867478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).