[(5-chlorothiophene-3-carbonyl)amino]urea

C6H6ClN3O2S — CID 130639850

IUPAC[(5-chlorothiophene-3-carbonyl)amino]urea
SMILESNC(=O)NNC(=O)c1csc(Cl)c1
InChIInChI=1S/C6H6ClN3O2S/c7-4-1-3(2-13-4)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12)
InChIKeyUATNJVQWWORXJC-UHFFFAOYSA-N
MW219.65 g/mol
LogP0.71
Rot. Bonds1

About [(5-chlorothiophene-3-carbonyl)amino]urea

[(5-chlorothiophene-3-carbonyl)amino]urea (PubChem CID 130639850) has the molecular formula C6H6ClN3O2S and a molecular weight of 219.65 g/mol. Its IUPAC name is [(5-chlorothiophene-3-carbonyl)amino]urea.

Molecular Properties

Compound Name[(5-chlorothiophene-3-carbonyl)amino]urea
PubChem CID130639850
Molecular FormulaC6H6ClN3O2S
Molecular Weight219.65 g/mol
Exact Mass218.99
IUPAC Name[(5-chlorothiophene-3-carbonyl)amino]urea
SMILESNC(=O)NNC(=O)c1csc(Cl)c1
InChIInChI=1S/C6H6ClN3O2S/c7-4-1-3(2-13-4)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12)
InChIKeyUATNJVQWWORXJC-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of [(5-chlorothiophene-3-carbonyl)amino]urea?
The IUPAC name of [(5-chlorothiophene-3-carbonyl)amino]urea (CID 130639850) is [(5-chlorothiophene-3-carbonyl)amino]urea.
What is the SMILES notation for [(5-chlorothiophene-3-carbonyl)amino]urea?
The canonical SMILES for [(5-chlorothiophene-3-carbonyl)amino]urea is NC(=O)NNC(=O)c1csc(Cl)c1.
What is the InChIKey of [(5-chlorothiophene-3-carbonyl)amino]urea?
The InChIKey is UATNJVQWWORXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2S/c7-4-1-3(2-13-4)5(11)9-10-6(8)12/h1-2H,(H,9,11)(H3,8,10,12).
What are the key properties of [(5-chlorothiophene-3-carbonyl)amino]urea?
[(5-chlorothiophene-3-carbonyl)amino]urea has a molecular weight of 219.65 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chlorothiophene-3-carbonyl)amino]urea is sourced from PubChem (CID 130639850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).