1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

C15H10BrNO2S — CID 115781573

IUPAC1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C15H10BrNO2S/c16-14-7-6-13(19-14)12(18)8-15-17-11(9-20-15)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyCNLASBZALRTIFI-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.59
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (PubChem CID 115781573) has the molecular formula C15H10BrNO2S and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
PubChem CID115781573
Molecular FormulaC15H10BrNO2S
Molecular Weight348.22 g/mol
Exact Mass346.96
IUPAC Name1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C15H10BrNO2S/c16-14-7-6-13(19-14)12(18)8-15-17-11(9-20-15)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyCNLASBZALRTIFI-UHFFFAOYSA-N
XLogP4.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(5-bromofuran-2-yl)ethanone
CID 43118444
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819695
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006690
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881360

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (CID 115781573) is 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is O=C(Cc1nc(-c2ccccc2)cs1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is CNLASBZALRTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2S/c16-14-7-6-13(19-14)12(18)8-15-17-11(9-20-15)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 348.22 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115781573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).