(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C11H14Br2N2O2S — CID 43390963

IUPAC(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCN(CCO)CC1
InChIInChI=1S/C11H14Br2N2O2S/c12-8-7-9(18-10(8)13)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2
InChIKeyGRPUSQZUUWDUSL-UHFFFAOYSA-N
MW398.12 g/mol
LogP2.02
Rot. Bonds3

About (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43390963) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43390963
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC Name(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Br)c(Br)s1)N1CCN(CCO)CC1
InChIInChI=1S/C11H14Br2N2O2S/c12-8-7-9(18-10(8)13)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2
InChIKeyGRPUSQZUUWDUSL-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,5-dibromothiophene-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824462
(4,5-dibromothiophen-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325654
(2,5-dibromothiophen-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107962375
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110878490
(4,5-dibromothiophen-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 78967348
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79036661
1,4-diazepan-1-yl-(4,5-dibromothiophen-2-yl)methanone
CID 78981250
[4-(2-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537560
(5-amino-1-benzothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093044
(5-ethylthiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416286
(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
CID 47131293

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43390963) is (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cc(Br)c(Br)s1)N1CCN(CCO)CC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is GRPUSQZUUWDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c12-8-7-9(18-10(8)13)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 398.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43390963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).