1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea

C8H9BrN2O2S — CID 117235224

IUPAC1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)Nc1ccc(Br)s1
InChIInChI=1S/C8H9BrN2O2S/c1-5(12)4-10-8(13)11-7-3-2-6(9)14-7/h2-3H,4H2,1H3,(H2,10,11,13)
InChIKeyKPWXJSPMJCAHTG-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.22
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea

1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea (PubChem CID 117235224) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
PubChem CID117235224
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)Nc1ccc(Br)s1
InChIInChI=1S/C8H9BrN2O2S/c1-5(12)4-10-8(13)11-7-3-2-6(9)14-7/h2-3H,4H2,1H3,(H2,10,11,13)
InChIKeyKPWXJSPMJCAHTG-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-bromothiophen-2-yl)amino]-2-oxoacetate
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methyl 2-[(5-bromothiophen-2-yl)carbamoyl]butanoate
CID 115187822
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576
N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150612
1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
CID 117235219
3-amino-N-(5-bromothiophen-2-yl)cyclobutane-1-carboxamide
CID 115161279
1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
CID 111486708
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea (CID 117235224) is 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea is CC(=O)CNC(=O)Nc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea?
The InChIKey is KPWXJSPMJCAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c1-5(12)4-10-8(13)11-7-3-2-6(9)14-7/h2-3H,4H2,1H3,(H2,10,11,13).
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea?
1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea has a molecular weight of 277.14 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea is sourced from PubChem (CID 117235224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).