1-(4-bromophenyl)-3-thiophen-2-ylurea

C11H9BrN2OS — CID 108889102

IUPAC1-(4-bromophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cccs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyMSBLGLXHAYBLBU-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.15
Rot. Bonds2

About 1-(4-bromophenyl)-3-thiophen-2-ylurea

1-(4-bromophenyl)-3-thiophen-2-ylurea (PubChem CID 108889102) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-thiophen-2-ylurea
PubChem CID108889102
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name1-(4-bromophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cccs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h1-7H,(H2,13,14,15)
InChIKeyMSBLGLXHAYBLBU-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-3-thiophen-2-ylurea
CID 108889117
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
CID 20886027
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
1-(4-piperidin-1-ylphenyl)-3-thiophen-2-ylurea
CID 108889200
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
1-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-3-thiophen-2-ylurea
CID 122297869
1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
CID 122301728
N-thiophen-2-ylcarbamate
CID 19956166
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-bromophenyl)-3-thiophen-2-ylurea (CID 108889102) is 1-(4-bromophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-thiophen-2-ylurea is O=C(Nc1ccc(Br)cc1)Nc1cccs1.
What is the InChIKey of 1-(4-bromophenyl)-3-thiophen-2-ylurea?
The InChIKey is MSBLGLXHAYBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-3-5-9(6-4-8)13-11(15)14-10-2-1-7-16-10/h1-7H,(H2,13,14,15).
What are the key properties of 1-(4-bromophenyl)-3-thiophen-2-ylurea?
1-(4-bromophenyl)-3-thiophen-2-ylurea has a molecular weight of 297.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 108889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).