1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea

C10H8BrN3OS — CID 20886027

IUPAC1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Br)cn1)Nc1cccs1
InChIInChI=1S/C10H8BrN3OS/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h1-6H,(H2,12,13,14,15)
InChIKeyRRHVJRHDSRTDEE-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.55
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea

1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea (PubChem CID 20886027) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
PubChem CID20886027
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc(Br)cn1)Nc1cccs1
InChIInChI=1S/C10H8BrN3OS/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h1-6H,(H2,12,13,14,15)
InChIKeyRRHVJRHDSRTDEE-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-thiophen-2-ylurea
CID 108889102
1-[(4-bromophenyl)methyl]-3-thiophen-2-ylurea
CID 108889261
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868656
1-(4-aminophenyl)-3-(5-bromo-2-pyridinyl)urea
CID 108897086
1-(5-bromo-2-pyridinyl)-3-ethenylurea
CID 108909365
1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
CID 108910477
1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea
CID 108814254
1-(5-bromo-2-pyridinyl)-3-(4-methylsulfanylphenyl)urea
CID 4525205
1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
CID 122301728
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea (CID 20886027) is 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea is O=C(Nc1ccc(Br)cn1)Nc1cccs1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea?
The InChIKey is RRHVJRHDSRTDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h1-6H,(H2,12,13,14,15).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea?
1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea has a molecular weight of 298.17 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 20886027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).