(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C11H15BrN3O2S+ — CID 9118626

IUPAC(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[NH+](CC(=O)N1CCNC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)/p+1
InChIKeyYGSUSEKVHBOLLA-UHFFFAOYSA-O
MW333.23 g/mol
LogP0.08
Rot. Bonds4

About (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 9118626) has the molecular formula C11H15BrN3O2S+ and a molecular weight of 333.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID9118626
Molecular FormulaC11H15BrN3O2S+
Molecular Weight333.23 g/mol
Exact Mass332.01
IUPAC Name(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[NH+](CC(=O)N1CCNC1=O)Cc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)/p+1
InChIKeyYGSUSEKVHBOLLA-UHFFFAOYSA-O
XLogP0.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-Bromothiophen-2-yl)imidazolidine-2,4-dione
CID 57390261
2-Sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one
CID 2726633
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796572
1-methyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134800130
1-[2-[Bis(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 8801255
(2S)-N-(ethylcarbamoyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 26606086
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
N-[(5-chloro-2-thienyl)methyl]-2-(2,5-dioxo-1-imidazolidinyl)acetamide
CID 29220105
1-[2-[Cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 34409215
1-[2-[(5-Chlorothiophen-2-yl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 39748232
1-[2-[(3-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
CID 47073504

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 9118626) is (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is C[NH+](CC(=O)N1CCNC1=O)Cc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is YGSUSEKVHBOLLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14BrN3O2S/c1-14(6-8-2-3-9(12)18-8)7-10(16)15-5-4-13-11(15)17/h2-3H,4-7H2,1H3,(H,13,17)/p+1.
What are the key properties of (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
(5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 333.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 9118626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).