(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C12H16Br2N2OS — CID 113237342

IUPAC(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C12H16Br2N2OS/c1-8(2)15-3-5-16(6-4-15)12(17)9-7-10(13)18-11(9)14/h7-8H,3-6H2,1-2H3
InChIKeyBRYMZCRIPSKOHL-UHFFFAOYSA-N
MW396.15 g/mol
LogP3.44
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 113237342) has the molecular formula C12H16Br2N2OS and a molecular weight of 396.15 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID113237342
Molecular FormulaC12H16Br2N2OS
Molecular Weight396.15 g/mol
Exact Mass393.94
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C12H16Br2N2OS/c1-8(2)15-3-5-16(6-4-15)12(17)9-7-10(13)18-11(9)14/h7-8H,3-6H2,1-2H3
InChIKeyBRYMZCRIPSKOHL-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-dibromothiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 107961801
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
1-(2,5-dibromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 113354342
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
(2-bromo-5-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994516
1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251
(3-bromo-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 103994515
3-[4-(2,5-dibromothiophene-3-carbonyl)piperazin-1-yl]propanoic acid
CID 107949003
(4-bromo-2-fluoro-5-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 167312108
(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107963765
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(2-chloro-5-sulfanylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 107023233

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 113237342) is (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is BRYMZCRIPSKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2OS/c1-8(2)15-3-5-16(6-4-15)12(17)9-7-10(13)18-11(9)14/h7-8H,3-6H2,1-2H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 396.15 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 113237342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).