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

C16H16Br2N2OS — CID 173067344

IUPAC1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
SMILESBr.Br.O=C(Cc1nccs1)c1ccccc1.c1ccncc1
InChIInChI=1S/C11H9NOS.C5H5N.2BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;1-2-4-6-5-3-1;;/h1-7H,8H2;1-5H;2*1H
InChIKeyRIOWGODQKKAJNZ-UHFFFAOYSA-N
MW444.19 g/mol
LogP4.81
Rot. Bonds3

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

1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide (PubChem CID 173067344) has the molecular formula C16H16Br2N2OS and a molecular weight of 444.19 g/mol. Its IUPAC name is 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide.

Molecular Properties

Compound Name1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
PubChem CID173067344
Molecular FormulaC16H16Br2N2OS
Molecular Weight444.19 g/mol
Exact Mass441.94
IUPAC Name1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
SMILESBr.Br.O=C(Cc1nccs1)c1ccccc1.c1ccncc1
InChIInChI=1S/C11H9NOS.C5H5N.2BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;1-2-4-6-5-3-1;;/h1-7H,8H2;1-5H;2*1H
InChIKeyRIOWGODQKKAJNZ-UHFFFAOYSA-N
XLogP4.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.19
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
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-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
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
1-phenyl-2-pyrazin-1-ium-1-ylethanone;hydrobromide
CID 126958750
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide?
The IUPAC name of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide (CID 173067344) is 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide.
What is the SMILES notation for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide?
The canonical SMILES for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide is Br.Br.O=C(Cc1nccs1)c1ccccc1.c1ccncc1.
What is the InChIKey of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide?
The InChIKey is RIOWGODQKKAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS.C5H5N.2BrH/c13-10(8-11-12-6-7-14-11)9-4-2-1-3-5-9;1-2-4-6-5-3-1;;/h1-7H,8H2;1-5H;2*1H.
What are the key properties of 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide?
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide has a molecular weight of 444.19 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide is sourced from PubChem (CID 173067344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).