[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea

C7H8BrN3O2S — CID 79996515

IUPAC[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(N)=O)sc1Br
InChIInChI=1S/C7H8BrN3O2S/c1-3-2-4(14-5(3)8)6(12)10-11-7(9)13/h2H,1H3,(H,10,12)(H3,9,11,13)
InChIKeyZDNQPPJJIQZNGL-UHFFFAOYSA-N
MW278.13 g/mol
LogP1.13
Rot. Bonds1

About [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea

[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea (PubChem CID 79996515) has the molecular formula C7H8BrN3O2S and a molecular weight of 278.13 g/mol. Its IUPAC name is [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
PubChem CID79996515
Molecular FormulaC7H8BrN3O2S
Molecular Weight278.13 g/mol
Exact Mass276.95
IUPAC Name[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(N)=O)sc1Br
InChIInChI=1S/C7H8BrN3O2S/c1-3-2-4(14-5(3)8)6(12)10-11-7(9)13/h2H,1H3,(H,10,12)(H3,9,11,13)
InChIKeyZDNQPPJJIQZNGL-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981900
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 79981541
2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea?
The IUPAC name of [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea (CID 79996515) is [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea is Cc1cc(C(=O)NNC(N)=O)sc1Br.
What is the InChIKey of [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea?
The InChIKey is ZDNQPPJJIQZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2S/c1-3-2-4(14-5(3)8)6(12)10-11-7(9)13/h2H,1H3,(H,10,12)(H3,9,11,13).
What are the key properties of [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea?
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea has a molecular weight of 278.13 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-4-methylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 79996515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).