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

C12H17BrN3O2S+ — CID 8971870

IUPAC(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/p+1/t8-/m1/s1
InChIKeyKIEWKIQZOYPKMT-MRVPVSSYSA-O
MW347.26 g/mol
LogP0.47
Rot. Bonds4

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

(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8971870) has the molecular formula C12H17BrN3O2S+ and a molecular weight of 347.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8971870
Molecular FormulaC12H17BrN3O2S+
Molecular Weight347.26 g/mol
Exact Mass346.02
IUPAC Name(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Br)s1
InChIInChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/p+1/t8-/m1/s1
InChIKeyKIEWKIQZOYPKMT-MRVPVSSYSA-O
XLogP0.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[methyl-[(5-methylthiophen-2-yl)methyl]carbamoyl]amino]acetamide
CID 56824528
5-(5-Bromothiophen-2-yl)imidazolidine-2,4-dione
CID 57390261
5-(5-Methylthiophen-2-yl)imidazolidine-2,4-dione
CID 57392046
1-[2-(2-Thiophen-2-ylpyrrolidin-1-yl)propanoyl]imidazolidin-2-one
CID 16295067
2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796572
1-cyclohexyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134796918
1-methyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134800130
1-cyclopentyl-2-oxo-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
CID 134801262
(2S)-N-(ethylcarbamoyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 26606086
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
1-[2-[Cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 34409215
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-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8971870) is (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is C[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is KIEWKIQZOYPKMT-MRVPVSSYSA-O. The full InChI is InChI=1S/C12H16BrN3O2S/c1-8(11(17)16-6-5-14-12(16)18)15(2)7-9-3-4-10(13)19-9/h3-4,8H,5-7H2,1-2H3,(H,14,18)/p+1/t8-/m1/s1.
What are the key properties of (5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
(5-bromothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 347.26 g/mol, XLogP of 0.47, 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-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8971870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).