1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide

C11H10BrNOS — CID 173018716

IUPAC1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
SMILESBr.O=C(Cc1nccs1)c1ccccc1
InChIInChI=1S/C11H9NOS.BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;/h1-7H,8H2;1H
InChIKeyUJOUHMMIDLYDDD-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.15
Rot. Bonds3

About 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide

1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide (PubChem CID 173018716) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
PubChem CID173018716
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
SMILESBr.O=C(Cc1nccs1)c1ccccc1
InChIInChI=1S/C11H9NOS.BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;/h1-7H,8H2;1H
InChIKeyUJOUHMMIDLYDDD-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
CID 173067344
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116613745
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810
N-methoxy-1-phenyl-2-(1,3-thiazol-2-yl)ethanimine
CID 173292936
4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58516398
1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116597097
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide?
The IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide (CID 173018716) is 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide?
The canonical SMILES for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide is Br.O=C(Cc1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide?
The InChIKey is UJOUHMMIDLYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS.BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;/h1-7H,8H2;1H.
What are the key properties of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide?
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide has a molecular weight of 284.18 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide is sourced from PubChem (CID 173018716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).