1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

C11H9BrN2OS2 — CID 60971828

IUPAC1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cnc(SCC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C11H9BrN2OS2/c1-7-4-13-11(14-5-7)16-6-8(15)9-2-3-10(12)17-9/h2-5H,6H2,1H3
InChIKeyMFZNORKMKUISFH-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.58
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (PubChem CID 60971828) has the molecular formula C11H9BrN2OS2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
PubChem CID60971828
Molecular FormulaC11H9BrN2OS2
Molecular Weight329.24 g/mol
Exact Mass327.93
IUPAC Name1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cnc(SCC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C11H9BrN2OS2/c1-7-4-13-11(14-5-7)16-6-8(15)9-2-3-10(12)17-9/h2-5H,6H2,1H3
InChIKeyMFZNORKMKUISFH-UHFFFAOYSA-N
XLogP3.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
CID 43412629
1-(5-bromothiophen-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 9407874
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340710
1-(5-bromothiophen-2-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2676461
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
CID 116833033
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224922
1-(5-bromothiophen-2-yl)-2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2410608
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (CID 60971828) is 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is Cc1cnc(SCC(=O)c2ccc(Br)s2)nc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is MFZNORKMKUISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS2/c1-7-4-13-11(14-5-7)16-6-8(15)9-2-3-10(12)17-9/h2-5H,6H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 329.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 60971828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).